SCHEMBL1483791

SCHEMBL1483791

Cc1cccc(C(C)(C)C)c1C.N=C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
CA2 P00918 2/20 0.40
TRPA1 O75762 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NLRP3 Q96P20 1/20 0.34
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CCR4 P51679 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KIF11 P52732 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL472173 1.00 GABRA1 (0.48) GABRA1GABRB2CA2TRPA1ATM
SCHEMBL3167832 0.87 GABRA1 (0.60) GABRA1GABRB2CA2TRPA1ATM
SCHEMBL30660859 0.87 GABRA1 (0.60) GABRA1GABRB2CA2TRPA1ATM
SCHEMBL9863249 0.83 GABRA1 (0.47) GABRA1GABRB2CA2ATMALDH1A1
SCHEMBL27996854 0.80 ESR1 (0.35) GABRA1GABRB2TRPA1ATMALDH1A1
SCHEMBL57485 0.80 TRPA1 (0.46) CA2TRPA1ATMALDH1A1TSHR
SCHEMBL29773079 0.80 TRPA1 (0.46) CA2TRPA1ATMALDH1A1TSHR
SCHEMBL112222 0.80 TRPA1 (0.46) CA2TRPA1ATMALDH1A1TSHR
SCHEMBL2653650 0.79 TRPA1 (0.46) GABRA1GABRB2CA2TRPA1ATM
Benzene SCHEMBL28983347 0.78 TRPA1 (0.44) CA2TRPA1ATMALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114796618-B Dental material for manufacturing temporary crowns and bridges 义获嘉伟瓦登特公司 2024-04-26 CN claimed
CN-111529409-B Dental material with improved mechanical properties 义获嘉伟瓦登特公司 2023-01-03 CN claimed
CN-111529410-B Dental material with improved setting properties 义获嘉伟瓦登特公司 2022-10-21 CN claimed
CN-111529411-B Dental material based on a redox system with low-odor cumene hydroperoxide derivatives 义获嘉伟瓦登特公司 2022-10-18 CN claimed
CN-114848503-A Dental material based on polymerizable thiourea derivatives 义获嘉伟瓦登特公司 2022-08-05 CN claimed
CN-114796618-A Dental material for producing temporary crowns and bridges 义获嘉伟瓦登特公司 2022-07-29 CN claimed
CN-113677728-A Compositions based on methacrylate monomers 博斯蒂克股份公司 2021-11-19 CN claimed
CN-113631609-A Compositions based on methacrylate monomers 博斯蒂克股份公司 2021-11-09 CN claimed
CN-111529411-A Dental material based on a redox system with low-odor cumene hydroperoxide derivatives 义获嘉伟瓦登特公司 2020-08-14 CN claimed
CN-111529410-A Dental material with improved setting properties 义获嘉伟瓦登特公司 2020-08-14 CN claimed
CN-1764684-A Process for producing organopolysiloxane copolymer and use thereof CONSORTIUM ELEKTROCHEM IND (DE) 2006-04-26 CN claimed
US-20060036055-A1 Organopolysiloxane/polyurea/polyurethane block copolymers CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2006-02-16 US claimed
WO-2005037936-A2 MULTIPLE COMPONENT COATING COMPOSITION UTILIZING DILUTION STABLE POLYISOCYANATES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-04-28 WO claimed
US-6794426-B2 A TONER COMPONENT WHICH IS THE ADDITION PRODUCT OF AN ORGANIC CHROMOPHORE HAVING AT LEAST ONE REACTIVE HYDROXYL OR AMINE SUBSTITUENT, A MONO OR POLYISOCYANATE AND/OR AN ALCOHOL MILLIKEN & COMPANY 2004-09-21 US claimed
US-6664311-B2 Reaction product of an organic chromophore with reactive hydroxyl or amine substituent, a mono or polyisocyanate, and/or an alcohol; solubility in oil based inks MILLIKEN & COMPANY 2003-12-16 US claimed
US-20030207961-A1 Novel toner compounds and compositions for black offset inks BATLAW RAJNISH (US) 2003-11-06 US claimed
US-20030110977-A1 Novel toner compounds and compositions for black offset inks MILLIKEN & COMPANY 2003-06-19 US claimed
WO-2003037951-A1 NOVEL TONER COMPOUNDS AND COMPOSITIONS FOR BLACK OFFSET INKS MILLIKEN & COMPANY (US) 2003-05-08 WO claimed
EP-1056703-B1 COLORANT HAVING ISOCYANATE SUBSTITUENT MILLIKEN RES CORP (US) 2003-04-16 EP claimed
US-5919846-A COLORFASTNESS; WATERPROOFING MILLIKEN RESEARCH CORPORATION (US) 1999-07-06 US claimed