SCHEMBL672724

SCHEMBL672724

CCCCC(CC)CP(=O)(O)CCCC.[Cr]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GABBR2 O75899 1/20 0.46
GABRR1 P24046 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
ALDH1A1 P00352 3/20 0.45
FDPS P14324 5/20 0.44
CA2 P00918 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL4706907 0.98 CYP3A4 (0.47) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL3960944 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL212573 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL673379 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL2701883 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL30844479 0.91 LPAR3 (0.48) CYP3A4L3MBTL1ALDH1A1FDPSTRPM8
SCHEMBL10419775 0.91 CYP3A4 (0.47) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL673442 0.90 ALDH1A1 (0.50) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL9622654 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL228798 0.88 ALDH1A1 (0.52) CYP3A4L3MBTL1ALDH1A1FDPSCA2

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
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-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