SCHEMBL21569372

SCHEMBL21569372

Cc1cc(C)c(C)c(CN=C=O)c1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
CYP3A4 P08684 2/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL427584 0.86 PGK1 (0.42) PGK1PGK2CYP3A4TRPA1
SCHEMBL13740306 0.85 GABRA1 (0.35) CYP3A4TRPA1
SCHEMBL22535914 0.83 CYP3A4 (0.32) CYP3A4
SCHEMBL460694 0.83 CYP3A4 (0.32) CYP3A4
SCHEMBL891224 0.79
SCHEMBL78796 0.78 CYP3A4 (0.30) CYP3A4
SCHEMBL28982371 0.77 CYP3A4 (0.31) CYP3A4TRPA1
SCHEMBL23492976 0.77 HRH3 (0.34) CYP3A4TRPA1
SCHEMBL20144 0.75 CYP3A4 (0.31) CYP3A4
SCHEMBL8763309 0.75 CYP3A4 (0.32) CYP3A4TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116533420-A Preparation method of near infrared barrier polyurethane lens 浙江伟星光学股份有限公司 2023-08-04 CN claimed
CN-112391048-A Polyurethane lens with infrared and blue light prevention function and manufacturing method thereof 上海伟星光学有限公司 2021-02-23 CN claimed
WO-2024056309-A1 ELECTRODEPOSITION COATING MATERIAL COMPOSITIONS COMPRISING COMPOSITE PARTICLES CONTAINING METAL-CONTAINING CATALYST BASF COATINGS GMBH (DE) 2024-03-21 WO disclosed
WO-2024056308-A1 ELECTRODEPOSITION COATING MATERIAL COMPOSITIONS COMPRISING PIGMENT SLURRY AND COMPOSITE PARTICLES CONTAINING METAL-CONTAINING CATALYST BASF COATINGS GMBH (DE) 2024-03-21 WO disclosed
CN-117321140-A Aging-resistant moisture-curable composition 科思创德国股份有限公司 2023-12-29 CN disclosed
WO-2023237284-A1 ELECTRODEPOSITION COATING MATERIAL COMPOSITIONS COMPRISING ALKOXYLATED POLYETHYLENEIMINES BASF COATINGS GMBH (DE) 2023-12-14 WO disclosed
CN-117203252-A Process for preparing isocyanate group-terminated polyoxazolidone compositions 科思创德国股份有限公司 2023-12-08 CN disclosed
EP-4263730-A1 ELECTRODEPOSITION COATING MATERIAL COMPOSITIONS COMPRISING ALKOXYLATED POLYETHYLENEIMINES BASF Coatings GmbH (DE) 2023-10-25 EP disclosed
CN-116568719-A Compositions comprising epoxy-functional oxazolidinones 科思创德国股份有限公司 2023-08-08 CN disclosed
CN-116533420-A Preparation method of near infrared barrier polyurethane lens 浙江伟星光学股份有限公司 2023-08-04 CN disclosed
CN-116486694-A Display protector 白石有限公司 2023-07-25 CN disclosed
CN-112566957-A Ionically hydrophilicized polyisocyanates having improved drying properties 科思创知识产权两合公司 2021-03-26 CN disclosed
CN-112391048-A Polyurethane lens with infrared and blue light prevention function and manufacturing method thereof 上海伟星光学有限公司 2021-02-23 CN disclosed
WO-2021004980-A1 PROCESS OF PREPARING ALLOPHANATE- AND/OR THIOALLOPHANATE GROUP-CONTAINING COMPOUNDS COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-01-14 WO disclosed
WO-2021004978-A1 METHOD FOR PRODUCING ISOCYANURATES FROM URETDIONES COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-01-14 WO disclosed
WO-2021001270-A1 RESISTANT 2K-PUR COATINGS COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-01-07 WO disclosed
WO-2020216680-A1 LATENT REACTIVE ADHESIVE PREPARATIONS COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2020-10-29 WO disclosed
CN-111527118-A Aqueous dispersion 科思创德国股份有限公司 2020-08-11 CN disclosed
EP-3568423-A1 LOW-SOLVENT COATING SYSTEMS FOR TEXTILES Covestro Deutschland AG (DE) 2019-11-20 EP disclosed
CN-102292371-A Low monomer 1 : 1 monoadducts of reactive olefinic compounds and diisocyanates using insertable inhibitors 2011-12-21 CN disclosed