Murcko scaffold
Ring system with 3 rings and 17 atoms
67 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 17
- Chemicals
- 67
- With full pages
- 9
Scaffold SMILES
O=C1C(=Cc2ccccc2)Cc2ccccc21
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 48 of 67 chemicals
![2-[[4-(Dimethylamino)phenyl]methylene]-2,3-dihydro-1H-inden-1-one chemical structure, C18H17NO, CAS 5706-20-7](/s/YCKZAOPKIOWTEH-UHFFFAOYSA-N.svg)
2-[[4-(Dimethylamino)phenyl]methylene]-2,3-dihydro-1H-inden-1-one
CAS 5706-20-7C18H17NO
2-Benzylidene-7-hydroxy-2,3-dihydro-1H-inden-1-one
C16H12O2
2-Benzylidene-3-bromoindan-1-one
CAS 5387-50-8C16H11BrO
![2-[(4-Bromophenyl)methylidene]-2,3-dihydro-1H-inden-1-one chemical structure, C16H11BrO, CAS 59082-19-8](/s/OXSRYCQUCRVPGD-UHFFFAOYSA-N.svg)
2-[(4-Bromophenyl)methylidene]-2,3-dihydro-1H-inden-1-one
CAS 59082-19-8C16H11BrO
![2,3-Dihydro-2-[(2-hydroxyphenyl)methylene]-1H-inden-1-one chemical structure, C16H12O2](/s/MTRGPBISOZJVME-UHFFFAOYSA-N.svg)
2,3-Dihydro-2-[(2-hydroxyphenyl)methylene]-1H-inden-1-one
C16H12O2
2-(4-Methoxybenzylidene)indan-1-one
CAS 17434-24-1C17H14O2
![2-[(4-Fluorophenyl)methylidene]-3H-inden-1-one chemical structure, C16H11FO, CAS 182689-77-6](/s/ZCVDRPALEOGSAS-UHFFFAOYSA-N.svg)
2-[(4-Fluorophenyl)methylidene]-3H-inden-1-one
CAS 182689-77-6C16H11FO
![1H-Inden-1-one, 2,3-dihydro-2-[(3-methoxyphenyl)methylene]- chemical structure, C17H14O2, CAS 110117-34-5](/s/JBFBIBIFVKXKDA-UHFFFAOYSA-N.svg)
1H-Inden-1-one, 2,3-dihydro-2-[(3-methoxyphenyl)methylene]-
CAS 110117-34-5C17H14O2
![1H-Inden-1-one, 2-[(3-fluorophenyl)methylene]-2,3-dihydro- chemical structure, C16H11FO, CAS 922736-66-1](/s/JMCDWSXNAOUYOU-UHFFFAOYSA-N.svg)
1H-Inden-1-one, 2-[(3-fluorophenyl)methylene]-2,3-dihydro-
CAS 922736-66-1C16H11FO
![1H-Inden-1-one, 2-[(3-chlorophenyl)methylene]-2,3-dihydro- chemical structure, C16H11ClO, CAS 61661-16-3](/s/KLAHLAAXUZQNTH-UHFFFAOYSA-N.svg)
1H-Inden-1-one, 2-[(3-chlorophenyl)methylene]-2,3-dihydro-
CAS 61661-16-3C16H11ClO
![1H-Inden-1-one, 2-[(2-fluorophenyl)methylene]-2,3-dihydro- chemical structure, C16H11FO, CAS 922736-67-2](/s/FPXZIAVVLBSJHB-UHFFFAOYSA-N.svg)
1H-Inden-1-one, 2-[(2-fluorophenyl)methylene]-2,3-dihydro-
CAS 922736-67-2C16H11FO
2-(4-Nitrobenzylidene)indan-1-one
CAS 61661-17-4C16H11NO3
2-((3,4-Dimethoxyphenyl)methylene)-2,3-dihydro-1H-inden-1-one
CAS 5706-15-0C18H16O3
4-(1-Oxoindan-2-ylidenemethyl)benzonitrile
CAS 59120-86-4C17H11NO
![2-Methyl-6-[(7-methyl-3-oxo-1H-inden-2-ylidene)methyl]benzoic acid chemical structure, C19H16O3, CAS 147923-47-5](/s/WSPJNKXEQLJVNQ-UHFFFAOYSA-N.svg)
2-Methyl-6-[(7-methyl-3-oxo-1H-inden-2-ylidene)methyl]benzoic acid
CAS 147923-47-5C19H16O3
![1H-Inden-1-one, 2-[(3-bromophenyl)methylene]-2,3-dihydro- chemical structure, C16H11BrO, CAS 81975-58-8](/s/BVIWTKYMZMLBTA-UHFFFAOYSA-N.svg)
1H-Inden-1-one, 2-[(3-bromophenyl)methylene]-2,3-dihydro-
CAS 81975-58-8C16H11BrO
![1H-Inden-1-one, 2,3-dihydro-2-[(3-methylphenyl)methylene]- chemical structure, C17H14O, CAS 702664-01-5](/s/VVLDMLRTNDUXKS-UHFFFAOYSA-N.svg)
1H-Inden-1-one, 2,3-dihydro-2-[(3-methylphenyl)methylene]-
CAS 702664-01-5C17H14O
(2E)-2-(Phenylmethylidene)-2,3-dihydro-1H-inden-1-one
CAS 5706-12-7C16H12O
(2Z)-2,3-Dihydro-2-(phenylmethylene)-1H-inden-1-one
CAS 17598-66-2C16H12O
2-(4-Trifluoromethylbenzylidene)indan-1-one
CAS 150542-57-7C17H11F3O
![(2Z)-2-[(4-Methylsulfanylphenyl)methylidene]-3H-inden-1-one chemical structure, C17H14OS, CAS 268563-91-3](/s/PXPPCDWTJHAURJ-UVTDQMKNSA-N.svg)
(2Z)-2-[(4-Methylsulfanylphenyl)methylidene]-3H-inden-1-one
CAS 268563-91-3C17H14OS
![2-[1-(4-Methylsulfanyl-phenyl)-meth-(E)-ylidene]-indan-1-one chemical structure, C17H14OS](/s/PXPPCDWTJHAURJ-GXDHUFHOSA-N.svg)
2-[1-(4-Methylsulfanyl-phenyl)-meth-(E)-ylidene]-indan-1-one
C17H14OS
![(2E)-2-[(2-Nitrophenyl)methylidene]-3H-inden-1-one chemical structure, C16H11NO3, CAS 68063-18-3](/s/CVCZIDNJPIBPLJ-JLHYYAGUSA-N.svg)
(2E)-2-[(2-Nitrophenyl)methylidene]-3H-inden-1-one
CAS 68063-18-3C16H11NO3
![2-{(Z)-[4-(Methylsulfanyl)phenyl]methylidene}-1H-inden-1(3H)-one chemical structure, C17H14OS](/s/PXPPCDWTJHAURJ-UHFFFAOYSA-N.svg)
2-{(Z)-[4-(Methylsulfanyl)phenyl]methylidene}-1H-inden-1(3H)-one
C17H14OS
- 2-((4-Difluoromethoxyphenyl)methylene)indan-1-one268563-92-4C17H12F2O2
- 1H-Inden-1-one, 2,3-dihydro-2-[[4-(1-methylethyl)phenyl]methylene]-141247-26-9C19H18O
- Benzoic acid, 4-[(1,3-dihydro-1-oxo-2H-inden-2-ylidene)methyl]-143412-99-1C17H12O3
- 2-Benzylidene-7-hydroxy-1-indanone69676-26-2C16H12O2
- 2-[(4-Methoxyphenyl)methylidene]-2,3-dihydro-1H-inden-1-one5706-14-9C17H14O2
- Antiproliferative agent-41225652-55-1C20H20O4
- Methyl (2Z)-2-benzylidene-3-oxo-1H-indene-1-carboxylate60031-26-7C18H14O3
- 2-(2-Hydroxybenzylidene)-1-indanone23418-53-3C16H12O2
- 1H-Inden-1-one, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2,3-dihydro-, (E)-137506-95-7C24H28O2
- (2E)-2-Benzylidene-3-bromo-3H-inden-1-oneC16H11BrO
- (2Z)-2-[(2-Hydroxyphenyl)methylidene]-3H-inden-1-oneC16H12O2
- 2-(4-(Dimethylamino)-2,5-dimethoxybenzylidene)-1-indanone23114-26-3C20H21NO3
- (2Z)-2-[Chloro(phenyl)methylidene]-3H-inden-1-one92794-23-5C16H11ClO
- (2Z)-2-[[4-(Difluoromethoxy)phenyl]methylidene]-5,6-dimethoxy-3H-inden-1-one1025637-49-3C19H16F2O4
- 5,6-Dimethoxy-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-inden-1-one222965-37-9C19H18O4
- 2-Benzylidene-3,3-dimethyl-2,3-dihydro-1H-inden-1-one55953-72-5C18H16O
- 2-((2,5-Dimethoxyphenyl)methylene)indan-1-one109857-08-1C18H16O3
- 5-Indanacetic acid, 2-benzylidene-3-oxo-71823-58-0C18H14O3
- 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-71861-14-8C18H13ClO3
- (2E)-2-[[4-[Bis(2-chloroethyl)amino]phenyl]methylidene]-3H-inden-1-one21889-11-2C20H19Cl2NO
- 4-[(E)-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)methyl]benzoic acid1393687-56-3C17H12O3
- 2-[(4-Methoxyphenyl)methylene]-3-hydrocyclopenta[2,1-a]benzen-1-oneC17H14O2
- (2E)-2-[(4-Methylphenyl)methylidene]-2,3-dihydro-1H-inden-1-one17434-22-9C17H14O
- N-{2-[(E)-(4-chlorophenyl)methylidene]-5,6-dimethoxy-3-oxo-2,3-dihydro-1H-inden-1-yl}-2,2,2-trifluoroacetamide691884-03-4C20H15ClF3NO4
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold c1ccc(Cc2nc3ccccc3[nH]2)cc1](/scaffold/YTLQFZVCLXFFRK-UHFFFAOYSA-N/structure.svg)
c1ccc(Cc2nc3ccccc3[nH]2)cc165 chemicals
O=C1C(=Cc2ccccc2)Oc2ccccc2153 chemicals
O=C(c1ccccc1)c1cc2ccccc2o150 chemicals
O=C1c2ccccc2C(=O)N1Cc1ccccc137 chemicals
O=c1cnn2c(=O)c(=Cc3ccccc3)sc2n126 chemicals
O=C1c2ccccc2CN1Cc1ccccc124 chemicals
c1ccc(Nc2nc3ccccc3s2)cc123 chemicals![Scaffold O=c1[nH]c(=O)c2[nH]c(CN3CCCCC3)nc2[nH]1](/scaffold/ZFBIZJMWQYQTOH-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2[nH]c(CN3CCCCC3)nc2[nH]123 chemicals![Scaffold O=c1[nH]c(=O)c2[nH]c(CN3CCOCC3)nc2[nH]1](/scaffold/QZWXCOLLEUINDB-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2[nH]c(CN3CCOCC3)nc2[nH]120 chemicals![Scaffold c1ccc(Nc2nc3ccccc3[nH]2)cc1](/scaffold/OUAAURDVPDKVAK-UHFFFAOYSA-N/structure.svg)
c1ccc(Nc2nc3ccccc3[nH]2)cc118 chemicals
O=C(c1ccccc1)c1cc2cccnc2s114 chemicals
O=C1C(=Cc2ccccc2)C(=O)c2ccccc2114 chemicals