SCHEMBL673440

SCHEMBL673440

CCCCCCCP(=O)(O)CCCCCCC.[Cr]

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.68
LPAR2 Q9HBW0 1/20 0.68
GABBR2 O75899 1/20 0.60
GABRR1 P24046 1/20 0.60
GABBR1 Q9UBS5 1/20 0.60
CETP P11597 1/20 0.58
TRPM8 Q7Z2W7 4/20 0.50
S1PR2 O95136 5/20 0.48
S1PR4 O95977 5/20 0.48
S1PR1 P21453 5/20 0.48
S1PR3 Q99500 5/20 0.48
S1PR5 Q9H228 1/20 0.48

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
SCHEMBL672883 1.00 LPAR3 (0.68) LPAR3LPAR2GABBR2GABRR1GABBR1
SCHEMBL673457 1.00 LPAR3 (0.68) LPAR3LPAR2GABBR2GABRR1GABBR1
SCHEMBL672229 1.00 LPAR3 (0.68) LPAR3LPAR2GABBR2GABRR1GABBR1
SCHEMBL673781 1.00 LPAR3 (0.68) LPAR3LPAR2GABBR2GABRR1GABBR1
SCHEMBL672236 1.00 LPAR3 (0.68) LPAR3LPAR2GABBR2GABRR1GABBR1
SCHEMBL970701 0.97 LPAR3 (0.71) LPAR3LPAR2GABBR2GABRR1GABBR1
SCHEMBL968792 0.97 LPAR3 (0.71) LPAR3LPAR2GABBR2GABRR1GABBR1
SCHEMBL970167 0.97 LPAR3 (0.71) LPAR3LPAR2GABBR2GABRR1GABBR1
SCHEMBL5984044 0.97 LPAR3 (0.71) LPAR3LPAR2GABBR2GABRR1GABBR1
SCHEMBL672010 0.97 LPAR3 (0.64) LPAR3LPAR2GABBR2GABRR1GABBR1

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 8 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
WO-2003040231-A1 PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION (JP) 2003-05-15 WO 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-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