SCHEMBL635875

SCHEMBL635875

Cc1ccc(N=C=O)c(N=C=O)c1C(c1ccccc1)c1c(C)ccc(N=C=O)c1N=C=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
TRPA1 O75762 1/20 0.40
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4669250 0.83 CYP3A4 (0.50) CYP3A4TRPA1GABRA1GABRB2GAA
SCHEMBL30728427 0.78 CYP3A4 (0.35) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL635874 0.78 CYP3A4 (0.43) CYP3A4TRPA1GAAALDH1A1HPGD
SCHEMBL28036817 0.74 CYP3A4 (0.43) CYP3A4GABRA1GABRB2GAAALDH1A1
SCHEMBL129232 0.74 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL29930513 0.72 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL110656 0.72 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL7588864 0.72 CYP3A4 (0.44) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL9558693 0.72 CYP3A4 (0.44) CYP3A4TRPA1ALDH1A1HPGDTDP1
Toluene Diisocyanate SCHEMBL11598038 0.71 CYP3A4 (0.67) CYP3A4TRPA1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459436-A Preparation method and application of episulfide compound 益丰新材料股份有限公司 2024-08-09 CN claimed
CN-117126594-A Optical coating composition, optical coating and photovoltaic module comprising optical coating composition 浙江福斯特新材料研究院有限公司 2023-11-28 CN claimed
CN-116425660-A Composition for optical material and method for producing optical material 益丰新材料股份有限公司 2023-07-14 CN claimed
CN-118459436-A Preparation method and application of episulfide compound 益丰新材料股份有限公司 2024-08-09 CN disclosed
CN-116143767-B Episulfide compound, composition for optical material, optical material and application 益丰新材料股份有限公司 2024-02-23 CN disclosed
CN-117126594-A Optical coating composition, optical coating and photovoltaic module comprising optical coating composition 浙江福斯特新材料研究院有限公司 2023-11-28 CN disclosed
CN-116947717-A Preparation method of low-chroma pentaerythritol sulfhydryl carboxylic ester 益丰新材料股份有限公司 2023-10-27 CN disclosed
CN-116478108-B Sulfur-containing heterocyclic compound, optical material composition and application thereof 益丰新材料股份有限公司 2023-10-13 CN disclosed
CN-116478148-B Episulfide compound and application thereof 益丰新材料股份有限公司 2023-10-13 CN disclosed
CN-116836156-A Compound and preparation method thereof, optical material composition and curing composition 益丰新材料股份有限公司 2023-10-03 CN disclosed
CN-116693790-A Composition for optical material and optical material 益丰新材料股份有限公司 2023-09-05 CN disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
EP-1398317-A1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-03-17 EP disclosed
US-20040026658-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2004-02-12 US disclosed
EP-1326095-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-07-09 EP disclosed
EP-1316819-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-04 EP disclosed
US-6472495-B1 RESIN PRODUCED BY CURING THE COMPOSITION BY POLYMERIZATION HAS AN EXCELLENT IMPACT RESISTANCE AND OPTICAL PROPERTIES, AND IS SUITABLE AS AN OPTICAL MATERIAL. POLYMERS WITH SULFIDE, SELINIUM AND TELLURIUM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-10-29 US disclosed
EP-1099721-A1 Composition for producing resin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-05-16 EP disclosed
US-5274023-A A diaper having a film also comprising a ethylene-1-butene or propylene copolymer having carboxy or epoxy groups and calcium carbonate DAINIPPON INK AND CHEMICALS, INC. (JP) 1993-12-28 US disclosed
US-4910073-A Bowling lane and method of repairing same DANIPPON INK AND CHEMICALS, INC. (JP) 1990-03-20 US disclosed