SCHEMBL483400

SCHEMBL483400

Cc1ccc(N=C=O)cc1CN=C=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
TRPA1 O75762 1/20 0.58
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.41
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP1A2 P05177 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
SCHEMBL5669652 0.86 CYP3A4 (0.53) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL3975605 0.85 CYP3A4 (0.61) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL24999152 0.85 CYP3A4 (0.61) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL10968102 0.84 CYP3A4 (0.47) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL10965734 0.84 CYP3A4 (0.47) CYP3A4TRPA1MAPK1TDP1TSHR
Toluene Diisocyanate SCHEMBL4245039 0.81 CYP3A4 (0.71) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL27337743 0.81 CYP3A4 (0.49) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL10967266 0.80 CYP3A4 (0.44) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL10962578 0.80 CYP3A4 (0.44) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL10963787 0.80 CYP3A4 (0.44) CYP3A4TRPA1MAPK1TDP1TSHR

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 1023 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117203185-B Diisocyanate stabilizer, use thereof and diisocyanate composition 巴斯夫欧洲公司 2026-05-12 CN claimed
CN-121574342-A Benzenedimethylene diisocyanate composition, preparation method and application thereof 万华化学集团股份有限公司 2026-02-27 CN claimed
CN-119859388-A Polyethylene terephthalate environment-friendly antifouling composite material, multilayer structure and application thereof 宁波捷傲创益新材料有限公司 2025-04-22 CN claimed
CN-119859237-A Pressure-resistant permeation-resistant deep sea intrinsic antifouling polyoxime urethane and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2025-04-22 CN claimed
CN-119822999-A Benzenedimethylene diisocyanate composition, preparation method and application thereof 万华化学集团股份有限公司 2025-04-15 CN claimed
CN-119613697-A Isosorbide type block copolycarbonate and preparation method and application thereof 中国科学院成都有机化学有限公司 2025-03-14 CN claimed
CN-119613663-A Comfortable cotton polyurethane foam material 延锋国际汽车技术有限公司 2025-03-14 CN claimed
CN-114423736-B Method for distilling isocyanates 科思创德国股份有限公司 2025-02-18 CN claimed
CN-114206964-B Rapid preparation of polyaspartates containing low primary amines and use of these polyaspartates in slow reactive polyurea systems 科思创有限公司 2025-02-11 CN claimed
CN-119350984-A Acrylic ester modified polyurethane hot melt adhesive and preparation method and application thereof 韦尔通科技股份有限公司 2025-01-24 CN claimed
EP-1248809-A1 FOAMED ISOCYANATE-BASED POLYMER HAVING IMPROVED HARDNESS PROPERTIES AND PROCESS FOR PRODUCTION THEREOF WOODBRIDGE FOAM CORPORATION (CA) 2002-10-16 EP claimed
WO-2002010247-A1 FOAMED ISOCYANATE-BASED POLYMER HAVING IMPROVED HARDNESS PROPERTIES AND PROCESS FOR PRODUCTION THEREOF WOODBRIDGE FOAM CORPORATION (CA) 2002-02-07 WO claimed
WO-2001040396-A2 URETHANE MODIFIED EPOXY ADHESIVE COMPOSITION REICHHOLD, INC. (US) 2001-06-07 WO claimed
EP-0824365-A2 FOAMED POLYMER AND PROCESS FOR PRODUCTION THEREOF WOODBRIDGE FOAM CORPORATION (CA) 1998-02-25 EP claimed
EP-0811027-A1 CHEMICAL BINDER Mancuso Chemicals Limited (CA) 1997-12-10 EP claimed
WO-1996031555-A2 WATER ABSORBENT FOAMED POLYMER AND PROCESS FOR PRODUCTION THEREOF WOODBRIDGE FOAM CORPORATION (CA) 1996-10-10 WO claimed
WO-1996026231-A1 CHEMICAL BINDER MANCUSO CHEMICALS LIMITED (CA) 1996-08-29 WO claimed
EP-0416762-B1 Cationic electrodeposition paint composition NISSAN MOTOR (JP) 1994-06-15 EP claimed
EP-0091054-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO PHENYL AND/OR 1-ALKYL-4-ISOCYANATOMETHYL-ISOCYANATO PHENYL, METHOD FOR THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1985-10-02 EP claimed
EP-0091054-A1 1-Alkyl-2-isocyanatomethyl-isocyanato phenyl and/or 1-alkyl-4-isocyanatomethyl-isocyanato phenyl, method for their preparation and use BASF Aktiengesellschaft (DE) 1983-10-12 EP claimed