SCHEMBL50318

SCHEMBL50318

CCCCC(C)C(C)(C)C.N=C=O.N=C=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA2 P00918 7/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 4/20 0.33
FDPS P14324 1/20 0.31
DNM1 Q05193 2/20 0.31
CTSK P43235 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL1972758 1.00 TSHR (0.35) TSHRSMN1; SMN2CA2MAPK1CA1
Hexane SCHEMBL28511182 0.98 DNM1 (0.34) TSHRSMN1; SMN2CA2MAPK1CA1
SCHEMBL2454718 0.86
SCHEMBL597711 0.86 DNM1 (0.39) TSHRSMN1; SMN2CA2MAPK1CA1
Ammonia Solution, Strong SCHEMBL4446984 0.84 DNM1 (0.38) TSHRSMN1; SMN2CA2MAPK1CA1
Hydrazine SCHEMBL1808698 0.81 OPRM1 (0.40) TSHRSMN1; SMN2CA2MAPK1CA1
Octane SCHEMBL8406477 0.81 DNM1 (0.48) TSHRSMN1; SMN2CA2FDPSDNM1
SCHEMBL9255939 0.79 TSHR (0.34) TSHRSMN1; SMN2CTSK
SCHEMBL4088243 0.79 OPRM1 (0.48) TSHRCA2CA1FDPSDNM1
SCHEMBL5077803 0.77 DNM1 (0.33) TSHRSMN1; SMN2CA2MAPK1CA1

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 1508 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119979105-A Bi-component polyurethane adhesive for bonding composite materials and preparation method thereof 四川东树新材料有限公司 2025-05-13 CN claimed
CN-118580673-A Polyurethane composition for electrical insulation casting system and preparation method thereof 四川东树新材料有限公司 2024-09-03 CN claimed
US-20240228819-A1 WATER-BORNE COATING COMPOSITION, ITS PREPARATION METHOD AND APPLICATION THEREOF BASF COATINGS GMBH (DE) 2024-07-11 US claimed
CN-114805714-B Vacuum-introduced polyurethane system, FRP material and preparation method thereof 四川东树新材料有限公司 2024-02-23 CN claimed
CN-117440978-A Aqueous coating composition, preparation method and application thereof 巴斯夫涂料有限公司 2024-01-23 CN claimed
EP-4288443-A1 MODIFIED GUAYULE RESIN PRODUCT AND RELATED PROCESSES BRIDGESTONE CORPORATION (JP) 2023-12-13 EP claimed
EP-4163314-B1 PROCESS FOR THE PREPARATION OF SOLID POLYURETHANE HARDENERS EVONIK OPERATIONS GMBH (DE) 2023-12-06 EP claimed
EP-4274858-A1 A WATERBORNE POLYURETHANE-EPOXY RESIN BASED PRIMER COMPOSITION AND ITS PREPARATION METHOD THEREOF BASF Coatings GmbH (DE) 2023-11-15 EP claimed
CN-116323742-A Water-based polyurethane-epoxy resin base primer composition and preparation method thereof 巴斯夫涂料有限公司 2023-06-23 CN claimed
EP-4163314-A1 PROCESS FOR THE PREPARATION OF SOLID POLYURETHANE HARDENERS Evonik Operations GmbH (DE) 2023-04-12 EP claimed
EP-1809414-A1 MICROCAPSULE DISPERSIONS BASF AKTIENGESELLSCHAFT (DE) 2007-07-25 EP claimed
US-7244196-B2 Golf ball which includes fast-chemical-reaction-produced component and method of making same CALLAWAY GOLF COMPANY (US) 2007-07-17 US claimed
US-20070111824-A1 Golf Ball Which Includes Fast-Chemical-Reaction-Produced Component and Method of Making Same OGIO INTERNATIONAL, INC. 2007-05-17 US claimed
CN-1871272-A Water-emulsifiable isocyanates having improved properties BASF AG (DE) 2006-11-29 CN claimed
CN-1865328-A Water dispersible end capping diisocyanate cross-linking agent and its preparation method GUANGZHOU INST OF CHEMISTRY (CN) 2006-11-22 CN claimed
WO-2006048166-A1 MICROCAPSULE DISPERSIONS BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
CN-1230457-C Compound with isocyanate group, coating composition containing compound, preparation method and application of compound BASF AG (DE) 2005-12-07 CN claimed
US-20050239989-A1 Water emulsifable isocyanates having improved properties BASF AKTIENGESELLSCHAFT (DE) 2005-10-27 US claimed
US-20050107188-A1 Golf Ball which Includes Fast-Chemical-Reaction-Produced Component and Method of Making Same CALLAWAY GOLF COMPANY (US) 2005-05-19 US claimed
US-5776394-A Process for manufacturing cellulose fibres BASF AKTIENGESELLSCHAFT (DE) 1998-07-07 US claimed