SCHEMBL560086

SCHEMBL560086

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
POLB P06746 2/20 0.36
TYR P14679 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36

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
SCHEMBL2153631 0.90 ALDH1A1 (0.43) PTK2ALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL15501699 0.84 CYP3A4 (0.42) ALDH1A1MAPTALOX15SMN1; SMN2CYP1A2
SCHEMBL30301248 0.84 CYP3A4 (0.48) PTK2ALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL168392 0.84 CYP3A4 (0.48) PTK2ALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL396873 0.82 ALDH1A1 (0.64) ALDH1A1MAPTALOX15SMN1; SMN2CYP1A2
SCHEMBL29550866 0.82 ALDH1A1 (0.64) ALDH1A1MAPTALOX15SMN1; SMN2CYP1A2
SCHEMBL22367815 0.80 CYP3A4 (0.50) ALDH1A1MAPTALOX15SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL31065280 0.80 ALDH1A1 (0.61) ALDH1A1MAPTALOX15SMN1; SMN2CYP1A2
SCHEMBL14681586 0.80 CA12 (0.42) ALDH1A1MAPTALOX15SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL16719254 0.80 ALDH1A1 (0.61) ALDH1A1MAPTALOX15SMN1; SMN2CYP1A2

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 69 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
CN-1412214-A One-step method polyurethane-urea elastomer with light stability BAYER AG (US) 2003-04-23 CN 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