SCHEMBL672745

SCHEMBL672745

CCCCCCCCCc1ccc(OP(=O)([O-])Oc2ccc(CCCCCCCCC)cc2)cc1.CCCCCCCCCc1ccc(OP(=O)([O-])Oc2ccc(CCCCCCCCC)cc2)cc1.CCCCCCCCCc1ccc(OP(=O)([O-])Oc2ccc(CCCCCCCCC)cc2)cc1.CCCCCCCCCc1ccc(OP(=O)([O-])Oc2ccc(CCCCCCCCC)cc2)cc1.CCCCCCCCCc1ccc(OP(=O)([O-])Oc2ccc(CCCCCCCCC)cc2)cc1.CCCCCCCCCc1ccc(OP(=O)([O-])Oc2ccc(CCCCCCCCC)cc2)cc1.[Mo+6]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.53
HTR2A P28223 1/20 0.51
S1PR1 P21453 9/20 0.50
S1PR3 Q99500 7/20 0.50
S1PR4 O95977 6/20 0.50
S1PR2 O95136 6/20 0.50
S1PR5 Q9H228 2/20 0.50
CA2 P00918 1/20 0.50
THRB P10828 2/20 0.49
THRA P10827 1/20 0.49
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47

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
SCHEMBL30986895 0.97 ENPP2 (0.53) ENPP2HTR2AS1PR1S1PR3S1PR4
SCHEMBL10901180 0.97 ENPP2 (0.53) ENPP2HTR2AS1PR1S1PR3S1PR4
SCHEMBL639390 0.97 ENPP2 (0.53) ENPP2HTR2AS1PR1S1PR3S1PR4
SCHEMBL147166 0.97 ENPP2 (0.53) ENPP2HTR2AS1PR1S1PR3S1PR4
SCHEMBL673710 0.97 ENPP2 (0.53) ENPP2HTR2AS1PR1S1PR3S1PR4
SCHEMBL3958992 0.97 ENPP2 (0.53) ENPP2HTR2AS1PR1S1PR3S1PR4
SCHEMBL672747 0.97 ENPP2 (0.53) ENPP2HTR2AS1PR1S1PR3S1PR4
SCHEMBL3965860 0.97 ENPP2 (0.53) ENPP2HTR2AS1PR1S1PR3S1PR4
SCHEMBL21611785 0.97 ENPP2 (0.53) ENPP2HTR2AS1PR1S1PR3S1PR4
SCHEMBL30398957 0.97 ENPP2 (0.53) ENPP2HTR2AS1PR1S1PR3S1PR4

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 13 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
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
EP-1183283-A1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2002-03-06 EP 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
WO-2000075201-A1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2000-12-14 WO disclosed