SCHEMBL80318

SCHEMBL80318

CCc1cc(Cc2cc(CC)c(N=C=O)c(CC)c2)cc(CC)c1N=C=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.59
GABRB2 P47870 2/20 0.59
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.35
SHBG P04278 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL28260919 0.91 GABRA1 (0.50) GABRA1GABRB2CYP3A4TSHRCYP1A2
SCHEMBL693019 0.89 GABRA1 (0.47) GABRA1GABRB2CYP3A4TSHRCYP1A2
SCHEMBL11147804 0.88 GABRA1 (0.47) GABRA1GABRB2CYP3A4TSHR
SCHEMBL583713 0.88 CYP3A4 (0.65) GABRA1GABRB2CYP3A4TSHRCYP1A2
SCHEMBL10592782 0.87 GABRA1 (0.46) GABRA1GABRB2CYP3A4TSHR
SCHEMBL5916108 0.85 GABRA1 (0.45) GABRA1GABRB2CYP3A4TSHR
SCHEMBL14946937 0.84 GABRA1 (0.44) GABRA1GABRB2CYP3A4TSHRDHFR
SCHEMBL941367 0.82 GABRA1 (0.60) GABRA1GABRB2
SCHEMBL20702519 0.81 GABRA1 (0.61) GABRA1GABRB2CYP3A4TSHR
SCHEMBL583814 0.81 GABRA1 (0.61) GABRA1GABRB2CYP3A4TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250291-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2023-08-10 US claimed
EP-4179027-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2023-05-17 EP claimed
EP-4114877-A1 CATALYSTS FOR THE FORMATION OF POLYURETHANES Momentive Performance Materials Inc. (US) 2023-01-11 EP claimed
CN-108623771-B Hydroxyl-terminated polyurethane prepolymer and preparation method thereof 科思创德国股份有限公司 2022-10-25 CN claimed
CN-114929769-A Bituminous composition comprising a thermosetting reactive compound 巴斯夫欧洲公司 2022-08-19 CN claimed
WO-2022084394-A1 COMPOSITE ARTICLE BASF SE (DE) 2022-04-28 WO claimed
CN-114222771-A Polyurethane gels for medical padding applications 巴斯夫欧洲公司 2022-03-22 CN claimed
WO-2022008754-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2022-01-13 WO claimed
WO-2021053012-A1 A POLYURETHANE GEL FOR MEDICAL PADDING APPLICATION BASF SE (DE) 2021-03-25 WO claimed
US-8931885-B1 Anti-wetting coating composition XEROX CORPORATION (US) 2015-01-13 US claimed
US-6720403-B1 GOOD WHITENESS RETENTION, HIGH HEAT-SET EFFICIENCY; POLYMERIC GLYCOL, ALKYL SUBSTITUTED METHYLENEBIS(4-ISOCYANATOBENZENE), A DOUBLY-HINDERED DIAMINE E.I. DUPONT DE NEMOURS AND CO. 2004-04-13 US claimed
US-6652635-B2 Cyan phase change inks XEROX CORPORATION 2003-11-25 US claimed
US-20030079645-A1 Cyan phase change inks XEROX CORPORATION 2003-05-01 US claimed
EP-1037943-A1 STABILIZED MOLDING COMPOUNDS COMPRISED OF BIOLOGICALLY DEGRADABLE MATERIALS BAYER AG (DE) 2000-09-27 EP claimed
WO-1999029768-A1 STABILIZED MOLDING COMPOUNDS COMPRISED OF BIOLOGICALLY DEGRADABLE MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1999-06-17 WO claimed
US-5866222-A Silicone copolymer modified release tapes MINNESOTA MINING AND MANUFACTURING CO. (US) 1999-02-02 US claimed
EP-0890138-A1 PERFLUOROETHER RELEASE COATINGS FOR ORGANIC PHOTORECEPTORS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-13 EP claimed
US-5723242-A POLYURETHANES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-03 US claimed
WO-1997036210-A1 PERFLUOROETHER RELEASE COATINGS FOR ORGANIC PHOTORECEPTORS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-02 WO claimed
US-4423200-A FROM POLYURETHANE AND CHAIN EXTENDING AROMATIC DIAMINE BAYER AKTIENGESELLSCHAFT (DE) 1983-12-27 US claimed