SCHEMBL672988

SCHEMBL672988

CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.[Mo+6]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.47
S1PR2 O95136 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR4 O95977 4/20 0.44
LAP3 P28838 2/20 0.44
FDPS P14324 3/20 0.42
GGPS1 O95749 2/20 0.41
OPRM1 P35372 1/20 0.40
FAAH O00519 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL672990 0.96 SMPD1 (0.47) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL673088 0.96 SMPD1 (0.47) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL640949 0.96 SMPD1 (0.47) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL151564 0.96 SMPD1 (0.47) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL19858474 0.96 SMPD1 (0.47) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL25423612 0.96 SMPD1 (0.47) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL4609036 0.96 SMPD1 (0.47) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL4612150 0.96 SMPD1 (0.47) SMPD1S1PR2S1PR1S1PR3S1PR4
Zinc Ion SCHEMBL2183109 0.88 FDPS (0.39) SMPD1FDPSGGPS1TRPM8
SCHEMBL28727428 0.85 SMPD1 (0.47) SMPD1S1PR2S1PR1S1PR3S1PR4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252979-A1 Process for Producing Blends of Syndiotactic, 1,2-Polybutadiene and Rubbery Elastomers RADEMACHER CHRISTINE (US) 2012-10-04 US disclosed
US-8067503-B2 Process for producing blends of syndiotactic, 1,2-polybutadiene and rubbery elastomers BRIDGESTONE CORPORATION (JP) 2011-11-29 US disclosed
US-20070161748-A1 PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC, 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION 2007-07-12 US disclosed
US-20040242780-A1 using a catalyst that is based on a chromium-containing compound, a hydrogen phosphite, and an organomagnesium compound, or a catalyst based on a molybdenum or iron-compound, a hydrogen phosphite and organoaluminum compound; tire sidewalls; obviates the need for high-temperature mixing BRIDGESTONE CORPORATION (JP) 2004-12-02 US disclosed
EP-1183283-B1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORP (JP) 2003-06-11 EP disclosed
US-6545107-B2 Reaction product of an molybdenum- containing compound, a silyl phosphonate; and an organoaluminum compound catalyst used for polymerizing conjugated diene monomer BRIDGESTONE CORPORATION (JP) 2003-04-08 US disclosed
US-6528588-B2 Polymerization of 1,3-butadiene in the presence of a catalyst made of a chromium compound, a hydrogen phosphite, an organomagnesium compound, a molybdenum containing compound and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-03-04 US disclosed
US-20020198337-A1 Molydenum-based catalyst composition for producing syndiotactic 1,2-polybutadiene BRIDGESTONE CORP. 2002-12-26 US disclosed
EP-1183283-A1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2002-03-06 EP disclosed
US-6348550-B1 ADDITION POLYMERIZATION OF 1,3-BUTADIENE TO SYNDIOTACTIC 1,2-POLYBUTADIENE USING COORDINATION CATALYST COMPRISING MOLYBDENUM COMPOUND, A HYDROGEN PHOSPHITE, AND MIXTURE OF (NON)STERICALLY HINDERED ORGANOALUMINUM COMPOUNDS BRIDGESTONE CORPORATION (JP) 2002-02-19 US disclosed
US-6303692-B1 PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING INTO SYNDIOTACTIC 1,2-POLYBUTADIENE BY USING CATALYST FORMULATION COMPRISING MOLYBDENUM COMPOUND, HYDROGEN PHOSPHITE COMPOUND AND ORGANOALUMINUM COMPOUND BRIDGESTONE CORPORATION (JP) 2001-10-16 US disclosed
WO-2000075201-A1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2000-12-14 WO disclosed