SCHEMBL476029

SCHEMBL476029

CC(N=C=O)c1cccc(N=C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
TRPA1 O75762 1/20 0.40
MIF P14174 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TSHR P16473 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL7192060 0.85 MIF (0.45) CYP3A4MIFMAPK1TDP1GABRA1
SCHEMBL12488145 0.84 CYP3A4 (0.43) CYP3A4TRPA1MAPK1TDP1GABRA1
SCHEMBL11402198 0.84 GRIN2D (0.44) CYP3A4TRPA1MAPK1TDP1GABRA1
Methane SCHEMBL7062390 0.83 MIF (0.44) CYP3A4MIFMAPK1TDP1GABRA1
SCHEMBL29077871 0.82 CYP3A4 (0.36) CYP3A4TRPA1MIFMAPK1TDP1
SCHEMBL8853885 0.81 CYP3A4 (0.39) CYP3A4TRPA1MIFMAPK1TDP1
SCHEMBL9182132 0.81 TDP1 (0.43) CYP3A4TRPA1MAPK1TDP1GABRA1
SCHEMBL707227 0.80 MAPK1 (0.41) CYP3A4TRPA1MAPK1TDP1GABRA1
SCHEMBL15005578 0.80 MAPK1 (0.44) CYP3A4TRPA1MAPK1TDP1GABRA1
SCHEMBL15652627 0.79 CYP3A4 (0.40) CYP3A4TRPA1MAPK1TDP1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3152117-A None JP disclosed
JP-6087814-A None JP disclosed
JP-4033969-A None JP disclosed
JP-6032858-A None JP disclosed
CN-113272483-B Polyurethane elastic fiber and fabric containing same 旭化成株式会社 2024-02-06 CN disclosed
WO-2023195484-A1 EASY-TO-RECYCLE ABSORBENT ARTICLE, AND METHOD FOR MANUFACTURING RECYCLED RAW MATERIAL, FIBER, AND FIBER PRODUCT 旭化成株式会社 2023-10-12 WO disclosed
US-11781249-B2 Polyurethane elastic fiber, yarn package of same, and product including same ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-10-10 US disclosed
US-20230272558-A1 Polyurethane Elastic Fiber, Gather Member Containing Same, and Sanitary Material ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-08-31 US disclosed
CN-113939618-B Polyurethane elastic fiber, product containing same, and surface treatment agent for polyurethane elastic fiber 旭化成株式会社 2023-07-25 CN disclosed
EP-4212654-A1 POLYURETHANE ELASTIC FIBER, GATHER MEMBER CONTAINING SAME, AND SANITARY MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2023-07-19 EP disclosed
EP-0001057-A2 Method for improving the resistance to yellowing of polyurethanes Mobay Chemical Corporation (US) 1979-03-21 EP disclosed
EP-0000927-A1 Process for stabilising thermoplastic polyester urethanes Mobay Chemical Corporation (US) 1979-03-07 EP disclosed
US-4139501-A CONTAINING MELAMINE DERIVATIVE TENNECO CHEMICALS, INC. (US) 1979-02-13 US disclosed
US-4131662-A OIL-IN-WATER EMULSION, ORGANIC SOLVENT, METAL COMPOUND CATALYST FOR REACTION OF ISOCYANATE WITH ACTIVE HYDROGEN MOBAY CHEMICAL CORPORATION (US) 1978-12-26 US disclosed
US-4123419-A A 2-OXAZOLIDONE STABILIZER MOBAY CHEMICAL CORPORATION (US) 1978-10-31 US disclosed
US-4123421-A CURABLE WITCO CHEMICAL CORPORATION (US) 1978-10-31 US disclosed
US-4082704-A POLYURETHANE FOAM OF INCREASED RIGIDITY TENNECO CHEMICALS, INC. (US) 1978-04-04 US disclosed
US-4033912-A Process for molding polyurethane foams BAYER AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed
US-4021379-A CONTAINING POLYETHERS AND POLYESTERS TENNECO CHEMICALS, INC. (US) 1977-05-03 US disclosed
JP-H00632858-A 0001-01-01 JP disclosed