SCHEMBL672387

SCHEMBL672387

CCCCCCC(C)[PH](=O)[O-].CCCCCCC(C)[PH](=O)[O-].CCCCCCC(C)[PH](=O)[O-].CCCCCCC(C)[PH](=O)[O-].CCCCCCC(C)[PH](=O)[O-].CCCCCCC(C)[PH](=O)[O-].[Mo+6]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
CA1 P00915 2/20 0.42
SPHK1 Q9NYA1 1/20 0.42
TP53 P04637 1/20 0.41
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
LAP3 P28838 1/20 0.39
CA2 P00918 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL673122 0.96 CA1 (0.42) OPRM1CA1SPHK1TP53ADH1B
SCHEMBL639496 0.96 CA1 (0.42) OPRM1CA1SPHK1TP53ADH1B
SCHEMBL148000 0.96 CA1 (0.42) OPRM1CA1SPHK1TP53ADH1B
SCHEMBL7155239 0.86 CA2 (0.39) OPRM1CA1CA2FDPS
SCHEMBL9876087 0.76 ACE2 (0.44) OPRM1CA1SPHK1TP53ADH1B
SCHEMBL8677881 0.76 ACE2 (0.44) OPRM1CA1SPHK1TP53ADH1B
SCHEMBL9875869 0.76 ACE2 (0.44) OPRM1CA1SPHK1TP53ADH1B
SCHEMBL16335202 0.76 ACE2 (0.44) OPRM1CA1SPHK1TP53ADH1B
SCHEMBL9875648 0.76 ACE2 (0.44) OPRM1CA1SPHK1TP53ADH1B
SCHEMBL1568031 0.76 ACE2 (0.44) OPRM1CA1SPHK1TP53ADH1B

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 3 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-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