SCHEMBL673825

SCHEMBL673825

CC(C)(C)C(=O)CC(=O)C(C)(C)C(=O)O.[Cr]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TET2 Q6N021 1/20 0.32
HSD11B1 P28845 1/20 0.31
TP53 P04637 1/20 0.30
NAALAD2 Q9Y3Q0 1/20 0.30

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
SCHEMBL42256 0.97 TSHR (0.36) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL1171122 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL5014188 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL6861198 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL768330 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL7629526 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL2791336 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL8981788 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL341962 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL5974062 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19

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 8 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-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