SCHEMBL673559

SCHEMBL673559

CCCCP(=O)(O)CCCC.[Cr]

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.73
GABBR1 Q9UBS5 2/20 0.73
GABRR1 P24046 1/20 0.73
LPAR3 Q9UBY5 3/20 0.52
LPAR2 Q9HBW0 1/20 0.52
CETP P11597 1/20 0.47
FDPS P14324 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.42
S1PR2 O95136 2/20 0.41
S1PR4 O95977 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41

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
SCHEMBL497185 0.97 GABBR2 (0.76) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL29240386 0.94 GABBR2 (0.73) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL673048 0.94 GABBR2 (0.73) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL29008417 0.94 GABBR2 (0.73) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL2484220 0.94 GABBR2 (0.73) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL2701937 0.94 GABBR2 (0.73) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL639143 0.94 GABBR2 (0.73) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL150613 0.94 GABBR2 (0.73) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL21082027 0.94 GABBR2 (0.73) GABBR2GABBR1GABRR1LPAR3LPAR2
Bromide SCHEMBL28564761 0.94 GABBR2 (0.73) GABBR2GABBR1GABRR1LPAR3LPAR2

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