SCHEMBL673378

SCHEMBL673378

CCCCC(CC)CP(=O)([O-])CCCC.CCCCC(CC)CP(=O)([O-])CCCC.CCCCC(CC)CP(=O)([O-])CCCC.CCCCC(CC)CP(=O)([O-])CCCC.CCCCC(CC)CP(=O)([O-])CCCC.CCCCC(CC)CP(=O)([O-])CCCC.[Mo+6]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
CA2 P00918 3/20 0.42
TSHR P16473 3/20 0.39
TRPM8 Q7Z2W7 3/20 0.38
FDPS P14324 1/20 0.35
ATM Q13315 1/20 0.35
CA1 P00915 1/20 0.33
GABBR2 O75899 1/20 0.33
GABRR1 P24046 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL18148986 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL673380 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL149866 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL640855 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL3965766 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL3960941 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL672723 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL674508 0.90 ALDH1A1 (0.50) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL9622651 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL673441 0.86 CYP3A4 (0.50) CYP3A4L3MBTL1ALDH1A1TDP1CA2

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 12 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
EP-1183283-B1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORP (JP) 2003-06-11 EP 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-6545107-B2 Reaction product of an molybdenum- containing compound, a silyl phosphonate; and an organoaluminum compound catalyst used for polymerizing conjugated diene monomer BRIDGESTONE CORPORATION (JP) 2003-04-08 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-20020198337-A1 Molydenum-based catalyst composition for producing syndiotactic 1,2-polybutadiene BRIDGESTONE CORP. 2002-12-26 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-6348550-B1 ADDITION POLYMERIZATION OF 1,3-BUTADIENE TO SYNDIOTACTIC 1,2-POLYBUTADIENE USING COORDINATION CATALYST COMPRISING MOLYBDENUM COMPOUND, A HYDROGEN PHOSPHITE, AND MIXTURE OF (NON)STERICALLY HINDERED ORGANOALUMINUM COMPOUNDS BRIDGESTONE CORPORATION (JP) 2002-02-19 US disclosed
US-6303692-B1 PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING INTO SYNDIOTACTIC 1,2-POLYBUTADIENE BY USING CATALYST FORMULATION COMPRISING MOLYBDENUM COMPOUND, HYDROGEN PHOSPHITE COMPOUND AND ORGANOALUMINUM COMPOUND BRIDGESTONE CORPORATION (JP) 2001-10-16 US disclosed