SCHEMBL673442

SCHEMBL673442

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FDPS P14324 6/20 0.48
CA2 P00918 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 3/20 0.43
ATM Q13315 1/20 0.42
LAP3 P28838 2/20 0.39
MAPK1 P28482 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
SCHEMBL228798 0.98 ALDH1A1 (0.52) ALDH1A1CYP3A4L3MBTL1FDPSCA2
SCHEMBL154361 0.96 ALDH1A1 (0.50) ALDH1A1CYP3A4L3MBTL1FDPSCA2
SCHEMBL674509 0.96 ALDH1A1 (0.50) ALDH1A1CYP3A4L3MBTL1FDPSCA2
SCHEMBL641159 0.96 ALDH1A1 (0.50) ALDH1A1CYP3A4L3MBTL1FDPSCA2
SCHEMBL672724 0.90 CYP3A4 (0.46) ALDH1A1CYP3A4L3MBTL1FDPSCA2
SCHEMBL19878122 0.90 CYP3A4 (0.46) ALDH1A1CYP3A4L3MBTL1FDPSCA2
SCHEMBL4706907 0.88 CYP3A4 (0.47) ALDH1A1CYP3A4L3MBTL1FDPSCA2
SCHEMBL10419775 0.88 CYP3A4 (0.47) ALDH1A1CYP3A4L3MBTL1FDPSCA2
SCHEMBL30844495 0.87 CYP3A4 (0.43) ALDH1A1CYP3A4L3MBTL1FDPSCA2
SCHEMBL2701883 0.86 CYP3A4 (0.46) ALDH1A1CYP3A4L3MBTL1FDPSCA2

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 7 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-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