SCHEMBL672747

SCHEMBL672747

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+4]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.53
THRB P10828 2/20 0.49
THRA P10827 1/20 0.49
S1PR1 P21453 7/20 0.48
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
KDM4E B2RXH2 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 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) ENPP2THRBTHRAS1PR1ESR1
SCHEMBL10901180 0.97 ENPP2 (0.53) ENPP2THRBTHRAS1PR1ESR1
SCHEMBL639390 0.97 ENPP2 (0.53) ENPP2THRBTHRAS1PR1ESR1
SCHEMBL147166 0.97 ENPP2 (0.53) ENPP2THRBTHRAS1PR1ESR1
SCHEMBL672745 0.97 ENPP2 (0.53) ENPP2THRBTHRAS1PR1ESR1
SCHEMBL3958992 0.97 ENPP2 (0.53) ENPP2THRBTHRAS1PR1ESR1
SCHEMBL673710 0.97 ENPP2 (0.53) ENPP2THRBTHRAS1PR1ESR1
SCHEMBL3965860 0.97 ENPP2 (0.53) ENPP2THRBTHRAS1PR1ESR1
SCHEMBL21611785 0.97 ENPP2 (0.53) ENPP2THRBTHRAS1PR1ESR1
SCHEMBL30398957 0.97 ENPP2 (0.53) ENPP2THRBTHRAS1PR1ESR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2000075201-A1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2000-12-14 WO disclosed