SCHEMBL673088

SCHEMBL673088

CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.[Cr+3]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.47
GGPS1 O95749 2/20 0.45
FDPS P14324 3/20 0.42
S1PR2 O95136 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 4/20 0.41
FAAH O00519 1/20 0.40
LAP3 P28838 1/20 0.40
TRPM8 Q7Z2W7 3/20 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
SCHEMBL151564 0.96 SMPD1 (0.47) SMPD1GGPS1FDPSS1PR2S1PR1
SCHEMBL4609036 0.96 SMPD1 (0.47) SMPD1GGPS1FDPSS1PR2S1PR1
SCHEMBL640949 0.96 SMPD1 (0.47) SMPD1GGPS1FDPSS1PR2S1PR1
SCHEMBL672988 0.96 SMPD1 (0.47) SMPD1GGPS1FDPSS1PR2S1PR1
SCHEMBL4612150 0.96 SMPD1 (0.47) SMPD1GGPS1FDPSS1PR2S1PR1
SCHEMBL25423612 0.96 SMPD1 (0.47) SMPD1GGPS1FDPSS1PR2S1PR1
SCHEMBL19858474 0.96 SMPD1 (0.47) SMPD1GGPS1FDPSS1PR2S1PR1
SCHEMBL672990 0.96 SMPD1 (0.47) SMPD1GGPS1FDPSS1PR2S1PR1
Zinc Ion SCHEMBL2183109 0.88 FDPS (0.39) SMPD1GGPS1FDPSTRPM8
SCHEMBL28727428 0.85 SMPD1 (0.47) SMPD1GGPS1FDPSS1PR2S1PR1

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 9 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
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-6465585-B2 REACTION PRODUCT OF A CHROMIUM CONTAINING COMPOUND, AN ORGANOMAGNESIUM COMPOUND AND A SILYL PHOSPHONATE BRIDGESTONE CORPORATION (JP) 2002-10-15 US disclosed
US-20020115558-A1 CHROMIUM-BASED CATALYST COMPOSITION FOR PRODUCING CONJUGATED DIENE POLYMERS BRIDGESTONE CORP. 2002-08-22 US disclosed
US-20020037967-A1 Process for producing blends of syndiotactic 1,2-polybutadiene and rubbery elastomers with a chromium-based catalyst system BRIDGESTONE CORPORATION (JP) 2002-03-28 US disclosed
US-6291591-B1 PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING 1,3-BUTADIENE BY USING A CATALYST WHICH IS COMBINATION OF OR THE REACTION PRODUCT OF CHROMIUM COMPOUND, HYDROGEN PHOSPHITE, ORGANOMAGNESIUM COMPOUND BRIDGESTONE CORPORATION (JP) 2001-09-18 US disclosed