SCHEMBL672962

SCHEMBL672962

CC(C)N(C(=O)[O-])C(C)C.CC(C)N(C(=O)[O-])C(C)C.CC(C)N(C(=O)[O-])C(C)C.CC(C)N(C(=O)[O-])C(C)C.CC(C)N(C(=O)[O-])C(C)C.CC(C)N(C(=O)[O-])C(C)C.[Mo+6]

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.33
CA2 P00918 1/20 0.33
ALOX5 P09917 1/20 0.31
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 1/20 0.30
CA4 P22748 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
SCHEMBL150600 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL28502525 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL8386959 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL8733058 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL673527 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL638832 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL28497682 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL672964 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL673948 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL673151 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4

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 14 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
WO-2003040231-A1 PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION (JP) 2003-05-15 WO 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