SCHEMBL672640

SCHEMBL672640

CCCCCCCCCCCC[PH](=O)[O-].CCCCCCCCCCCC[PH](=O)[O-].CCCCCCCCCCCC[PH](=O)[O-].[Cr+3]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
THRB P10828 1/20 0.44
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
ALDH1A1 P00352 3/20 0.39
HAO1 Q9UJM8 1/20 0.37
EPHX2 P34913 1/20 0.36
DNM1 Q05193 3/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL672812 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL674839 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL673036 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL672084 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL674605 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL672231 0.97 CES2 (0.39) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL7610383 0.94 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL640301 0.94 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL10900701 0.94 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL151312 0.94 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1

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-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
WO-2003040231-A1 PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION (JP) 2003-05-15 WO 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-20020115558-A1 CHROMIUM-BASED CATALYST COMPOSITION FOR PRODUCING CONJUGATED DIENE POLYMERS BRIDGESTONE CORP. 2002-08-22 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