SCHEMBL1456958

SCHEMBL1456958

CCc1cccc(C(C)C)c1N=C=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.70
GABRB2 P47870 6/20 0.70
CYP3A4 P08684 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
LMNA P02545 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
HTR2B P41595 1/20 0.35
GABRA2 P47869 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28007487 0.89 GABRA1 (0.54) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL959941 0.88 GABRA1 (0.52) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL7143005 0.87 GABRA1 (0.66) GABRA1GABRB2CYP3A4TSHRHTT
SCHEMBL27566258 0.87 GABRA1 (0.51) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL191769 0.85 GABRA1 (0.50) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL1457486 0.85 GABRA1 (0.71) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL27734967 0.85 GABRA1 (0.49) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL1457739 0.83 GABRA1 (1.00) GABRA1GABRB2CYP3A4LMNATSHR
SCHEMBL11416607 0.83 GABRA1 (0.55) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL9623520 0.81 GABRA1 (0.47) GABRA1GABRB2CYP3A4GABRG2GABRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343941-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-10-17 US disclosed
EP-4380990-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-06-12 EP disclosed
CN-117836344-A Dual cure resin composition comprising uretdione containing compounds and use thereof in 3D printing 巴斯夫欧洲公司 2024-04-05 CN disclosed
WO-2024033289-A1 A PHOTOCURABLE OLIGOMER CONTAINING URETDIONE GROUPS, METHOD OF PREPARING THE OLIGOMER AND DUAL-CURE RESIN COMPOSITION CONTAINING THE OLIGOMER THEREOF BASF SE (DE) 2024-02-15 WO disclosed
WO-2023012000-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2023-02-09 WO disclosed
CN-111868130-B Composition, bonding method and assembly 3M创新有限公司 2022-06-24 CN disclosed
CN-111788246-B Composition, bonding method and bonded assembly 3M创新有限公司 2022-06-10 CN disclosed
US-20210324250-A1 ONE-PART THERMALLY CURABLE COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2021-10-21 US disclosed
EP-3856817-A1 ONE-PART THERMALLY CURABLE COMPOSITION 3M Innovative Properties Company (US) 2021-08-04 EP disclosed
CN-107849816-B Method for treating paperboard and paper media and related treated paperboard and paper media 巴斯夫欧洲公司 2021-07-09 CN disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
WO-1998057173-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-17 WO disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998032733-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER INC. (US) 1998-07-30 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed
EP-0297610-B1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1991-03-13 EP disclosed
EP-0297610-A1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1989-01-04 EP disclosed