SCHEMBL117750

SCHEMBL117750

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HIF1A Q16665 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GABRA1 P14867 6/20 0.35
GABRB1 P18505 4/20 0.35
GABRB2 P47870 4/20 0.35
LMNA P02545 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2B P41595 2/20 0.32
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL832810 0.90 GAA (0.46) PTK2GAAPOLBGFERCA1
SCHEMBL169738 0.84 POLB (0.53) PTK2GAAPOLBGFERHIF1A
SCHEMBL20017590 0.84 GAA (0.44) GAAPOLBGFERCA1CA2
SCHEMBL30301258 0.83 AR (0.41) GAAPOLBGFERALDH1A1TSHR
SCHEMBL168865 0.83 AR (0.41) GAAPOLBGFERALDH1A1TSHR
SCHEMBL28590398 0.82 GAA (0.34) PTK2GAAPOLBGFERCA1
SCHEMBL12289335 0.80 CYP3A4 (0.50) GAAPOLBGFERCA1CA2
SCHEMBL15165728 0.78 GAA (0.35) GAAPOLBGFERCA1CA2
SCHEMBL3649606 0.78 POLB (0.59) GAAPOLBGFERHIF1AALDH1A1
SCHEMBL341687 0.78 ALDH1A1 (0.35) GAAPOLBGFERHIF1AALDH1A1

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 107 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
CN-117265772-A Preparation method of PBO nanofiber membrane 山东非金属材料研究所 2023-12-22 CN disclosed
WO-2023041443-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2023-03-23 WO 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
EP-0336391-B1 Reversibly color-changeable materials TEIJIN LTD (JP) 1994-01-26 EP disclosed
US-5196531-A Poly(N-cyclic iminoether), process for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1993-03-23 US disclosed
US-5068062-A Crosslinked resin containing 4,4*-diaminodiphenylmethane units with the amine quaternized and an electrolytic material TEIJIN LIMITED (JP) 1991-11-26 US disclosed
EP-0351814-A2 Poly (N-cyclic iminoether), processes for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1990-01-24 EP disclosed
EP-0336391-A2 Reversibly color-changeable materials TEIJIN LIMITED (JP) 1989-10-11 EP disclosed
US-4849544-A STERIC HINDRANCE; POLYUREA, POLYURETHANE AND EPOXY RESIN INTERMEDIATES ETHYL CORPORATION (US) 1989-07-18 US 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