SCHEMBL673528

SCHEMBL673528

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
P2RX4 Q99571 2/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC7A5 Q01650 1/20 0.30
BCHE P06276 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
SCHEMBL42467 0.97 TP53 (0.39) TP53P2RX4P2RX1P2RX3P2RX7
Hydrochloric Acid SCHEMBL4680206 0.93 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL8985021 0.93 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL8386961 0.93 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL150601 0.93 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL672963 0.93 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL8985028 0.93 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL638833 0.93 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
Hydrazine SCHEMBL16039959 0.90 TP53 (0.35) TP53P2RX4P2RX1P2RX3P2RX7
Cyclohexane SCHEMBL3905056 0.88 ADH1B (0.34) TP53

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