SCHEMBL116802

SCHEMBL116802

CCC(C)c1cc(C(C)CC)c(N)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.41
RORC P51449 1/20 0.38
PTK2 Q05397 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 1/20 0.30
CASP7 P55210 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
SCHEMBL168865 0.93 AR (0.41) ARALDH1A1HSD17B10HPGDALOX15
SCHEMBL30301258 0.93 AR (0.41) ARALDH1A1HSD17B10HPGDALOX15
SCHEMBL29779642 0.85 AR (0.42) ARALDH1A1HSD17B10HPGDALOX15
SCHEMBL343321 0.85 AR (0.42) ARALDH1A1HSD17B10HPGDALOX15
SCHEMBL11683236 0.81 TSHR (0.50) ARALDH1A1HSD17B10HPGDALOX15
SCHEMBL5381438 0.81 AR (0.39) ARALDH1A1HSD17B10HPGDALOX15
SCHEMBL20153682 0.79 TSHR (0.47) ARALDH1A1HSD17B10HPGDALOX15
SCHEMBL249358 0.78 ALDH1A1 (0.43) ARALDH1A1HSD17B10HPGDALOX15
SCHEMBL1772000 0.78 GAA (0.43) ARALDH1A1HSD17B10HPGDALOX15
SCHEMBL5377888 0.78 ALDH1A1 (0.47) ARALDH1A1HSD17B10HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4526905-A Chain extenders ETHYL CORPORATION (US) 1985-07-02 US claimed
EP-3938416-B1 POLYURETHANE COATING COMPOSITIONS AND THEIR USE AS GEL COATS COVESTRO LLC (US) 2025-09-10 EP disclosed
US-20240376246-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2024-11-14 US disclosed
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-4402191-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2024-07-24 EP 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-117980366-A One pot process for producing polycarbodiimide cured polymers 巴斯夫欧洲公司 2024-05-03 CN 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-2023041443-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2023-03-23 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
US-6562932-B1 Optically clear, light-stable polyurethane-urea elastomer having an onset softening point of at least 130 degrees C., processed at ambient temperature and casted in a mold at an isocyanate index of 95 to 120. BAYER CORPORATION 2003-05-13 US disclosed
EP-1302491-A1 Light stable one-shot urethane-urea elastomers Bayer Corporation (US) 2003-04-16 EP disclosed
US-6530849-B2 Copolymer of toluene-2,4- or 2,6-diisocyanate, low molecular weight polyoxypropylene glycol and diamine functional chain extender; high resilience and shear resistance UNIROYAL CHEMICAL COMPANY, INC. 2003-03-11 US disclosed
WO-2002064658-A1 LOW COST, RESILIENT, SHEAR RESISTANT POLYURETHANE ELASTOMERS FOR GOLF BALL COVERS UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-08-22 WO disclosed
US-20020049099-A1 Low cost, resilient, shear resistant polyurethane elastomers for golf ball covers UNIROYAL CHEMICAL COMPANY, INC. 2002-04-25 US disclosed
US-6309313-B1 AN INEXPENSIVE COVER OF A POLYETHERURETHANE COPOLYMER CHAIN EXTENDED BY A DIAMINE OR DIHYDROXY COMPOUND; POLYETHER MONOMER COMPRISING ETHYLENE GLYCOL OR ETHYLENE GLYCOL AND PROPYLENE GLYCOL; COLORFASTNESS; PHOTOSTABILITY UNIROYAL CHEMICAL COMPANY, INC. 2001-10-30 US disclosed
US-6174984-B1 Clear, resilient polyurethane elastomers UNIROYAL CHEMICAL COMPANY, INC. 2001-01-16 US disclosed
WO-2000077062-A1 CLEAR, RESILIENT POLYURETHANE ELASTOMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-12-21 WO disclosed
US-4631298-A REACTION INJECTION MOLDING POLYURETHANES ETHYL CORPORATION (US) 1986-12-23 US disclosed
US-4526905-A Chain extenders ETHYL CORPORATION (US) 1985-07-02 US disclosed