SCHEMBL462795

SCHEMBL462795

CC(CN=C=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
MIF P14174 3/20 0.44
AOC3 Q16853 2/20 0.42
FFAR1 O14842 1/20 0.42
TRPA1 O75762 4/20 0.41
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
BCHE P06276 1/20 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
SCHEMBL29022653 1.00 TAAR1 (0.47) TAAR1MIFAOC3FFAR1TRPA1
SCHEMBL1705584 0.90 MIF (0.53) TAAR1MIFFFAR1ALDH1A1CYP3A4
SCHEMBL484032 0.86 MIF (0.40) TAAR1MIFFFAR1ALDH1A1CYP3A4
SCHEMBL4799419 0.82 TSHR (0.36) TAAR1MIFFFAR1CYP3A4
SCHEMBL136577 0.81 HTR2A (0.41) TAAR1CYP2C19
SCHEMBL10537775 0.81 MIF (0.40) MIF
SCHEMBL3267123 0.81 RIPK1 (0.47) TAAR1AOC3FFAR1TRPA1RIPK1
SCHEMBL6066034 0.81 C3AR1 (0.47) MIFFFAR1CYP3A4CYP2C19RAB9A
SCHEMBL4699559 0.80 MIF (0.68) TAAR1MIFAOC3TRPA1RIPK1
SCHEMBL9181988 0.79 CYP3A4 (0.46) MIFFFAR1TRPA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117431008-A Water-based polyurethane coating and preparation method thereof 肇庆华欣特化工涂料有限公司 2024-01-23 CN claimed
CN-113518791-B Storage-stable pigment-containing isocyanate-group-containing formulations having an isocyanate-group-containing grinding resin and use thereof 科思创知识产权两合公司 2023-08-08 CN claimed
CN-112020528-B Storage-stable, pigmented, isocyanate group-containing formulations and use thereof 科思创知识产权两合公司 2022-08-30 CN claimed
CN-114927696-A Positive electrode slurry with high cohesiveness and preparation method and application thereof 南通赛得能源有限公司 2022-08-19 CN claimed
CN-104039920-A Method for producing coated proppants ASHLAND SUEDCHEMIE KERNFEST 2014-09-10 CN claimed
CN-103608427-A Coated and cured proppants PREFERRED UNLTD INC 2014-02-26 CN claimed
EP-0526523-A1 POWDER COATING COMPOSITIONS. EASTMAN KODAK CO (US) 1993-02-10 EP claimed
CN-114555733-B Coating system based on bismuth-containing catalysts comprising at least one aromatic substituent 巴斯夫涂料有限公司 2024-05-07 CN disclosed
CN-112011287-B Dicing tape and dicing die bonding film 日东电工株式会社 2024-02-06 CN disclosed
CN-117431008-A Water-based polyurethane coating and preparation method thereof 肇庆华欣特化工涂料有限公司 2024-01-23 CN disclosed
CN-117396452-A Foaming mineral binder composition SIKA技术股份公司 2024-01-12 CN disclosed
CN-113614136-B Coating systems based on bismuth-containing catalysts having sterically bulky substituents 巴斯夫涂料有限公司 2024-01-09 CN disclosed
CN-117042741-A Photopolymerizable resin composition for durable dental prostheses and restorative articles 登士柏希罗纳有限公司 2023-11-10 CN disclosed
WO-1999060044-A1 ALKYL RESIN EMULSIONS AND UTILIZATION OF THE SAME Ashland-Südchemie-Kernfest GmbH (DE) 1999-11-25 WO disclosed
US-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US disclosed
EP-0006587-B1 SULFONYL UREAS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-11-11 EP disclosed
US-4282239-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-04 US disclosed
EP-0023575-A1 Benzene sulfonyl semicarbazides, their preparation and use, pharmaceutical formulations containing them and their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-11 EP disclosed
US-4238404-A N-CHLOROAMIDE, TERTIARY AMINE AKZONA INCORPORATED (US) 1980-12-09 US disclosed
EP-0006587-A1 Sulfonyl ureas, processes for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-09 EP disclosed