SCHEMBL1854136

SCHEMBL1854136

Cc1ccc(C(C)(C)C)c(N=C=O)c1N=C=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
TRPA1 O75762 1/20 0.39
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37

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
SCHEMBL295649 0.83 CYP3A4 (0.50) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL29648839 0.83 GABRA1 (0.46) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL1456973 0.83 GABRA1 (0.46) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL9863163 0.78 CYP3A4 (0.50) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL7598885 0.78 GABRA1 (0.56) GABRA1GABRB2
SCHEMBL28258614 0.74 CYP3A4 (0.37) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL9863183 0.74 CYP3A4 (0.44) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL129232 0.74 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL28949324 0.73 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL8673334 0.73 CYP3A4 (0.41) CYP3A4TRPA1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286907-A1 Fumaric Acid/Diol Polyesters and Their Manufacture and Use TATE & LYLE INGREDIENTS AMERICAS, INC. 2009-11-19 US claimed
WO-2009094375-A1 FUMARIC ACID/POLYOL POLYESTERS AND THEIR MANUFACTURE AND USE TATE AND LYLE INGREDIENTS AMERICAS, INC. (US) 2009-07-30 WO claimed
WO-2009094370-A1 FUMARIC ACID/DIOL POLYESTERS AND THEIR MANUFACTURE AND USE TATE AND LYLE INGREDIENTS AMERICAS, INC. (US) 2009-07-30 WO claimed
EP-0946464-A4 AMMONIUM NITRATE PROPELLANTS WITH MOLECULAR SIEVE UNIVERSAL PROPULSION CO (US) 2000-12-06 EP claimed
US-6059906-A MIXING AMMONIUM NITRATE WITH SYNTHETIC ZEOLITE; AGING; GRINDING; ADDING BINDER UNIVERSAL PROPULSION COMPANY, INC. (US) 2000-05-09 US claimed
EP-0946464-A1 AMMONIUM NITRATE PROPELLANTS WITH MOLECULAR SIEVE Universal Propulsion Company, Inc. (US) 1999-10-06 EP claimed
US-5817735-A URETHANE, GLASS TRANSITION TEMPERATURE, ACRYLIC RESIN, GOLF BALL COVERS PPG INDUSTRIES, INC. (US) 1998-10-06 US claimed
WO-1998023558-A1 AMMONIUM NITRATE PROPELLANTS WITH MOLECULAR SIEVE UNIVERSAL PROPULSION CO., INC. (US) 1998-06-04 WO claimed
US-20250329872-A1 SEPARATOR FOR SECONDARY BATTERY, AND SECONDARY BATTERY COMPRISING SAME SAMSUNG SDI CO., LTD. (KR) 2025-10-23 US disclosed
EP-4525183-A1 SEPARATOR FOR SECONDARY BATTERY, AND SECONDARY BATTERY COMPRISING SAME SAMSUNG SDI CO., LTD. (KR) 2025-03-19 EP disclosed
US-20240400835-A1 WATER-BASED PRIMER-SURFACER AND USES THEREOF PPG INDUSTRIES OHIO, INC. (US) 2024-12-05 US disclosed
WO-2024205129-A1 SEPARATOR FOR SECONDARY BATTERY, AND SECONDARY BATTERY COMPRISING SAME 삼성에스디아이주식회사 2024-10-03 WO disclosed
EP-4416202-A1 WATER-BASED PRIMER-SURFACER AND USES THEREOF PPG Industries Ohio Inc. (US) 2024-08-21 EP disclosed
CN-117296196-A Separator for secondary battery and secondary battery including the same 三星SDI株式会社 2023-12-26 CN disclosed
US-5817735-A URETHANE, GLASS TRANSITION TEMPERATURE, ACRYLIC RESIN, GOLF BALL COVERS PPG INDUSTRIES, INC. (US) 1998-10-06 US disclosed
WO-1998023558-A1 AMMONIUM NITRATE PROPELLANTS WITH MOLECULAR SIEVE UNIVERSAL PROPULSION CO., INC. (US) 1998-06-04 WO disclosed
EP-0244778-B1 MONO-TERTIARY-ALKYLATED TOLUENEDIISO-CYANATES AND DERIVATIVES AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-10-16 EP disclosed
EP-0283868-A2 Process for producing polyurethane/urea elastomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-09-28 EP disclosed
US-4722989-A URETHANE-LINKED TOLUENEDIISOCYANATE, DIAMINE CHAIN EXTENSION AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-02-02 US disclosed
EP-0244778-A1 Mono-tertiary-alkylated toluenediiso-cyanates and derivatives AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-11-11 EP disclosed