SCHEMBL253165

SCHEMBL253165

CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])CCCCCCCCCCC(=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.60
FABP3 P05413 7/20 0.57
CA2 P00918 2/20 0.57
NFKB1 P19838 1/20 0.55
GPR84 Q9NQS5 1/20 0.53
DNM1 Q05193 1/20 0.52
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50

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
Octanoic Acid SCHEMBL16008346 0.98 FABP3 (0.60) CA1FABP3CA2NFKB1GPR84
Myristic Acid SCHEMBL15091865 0.98 FABP3 (0.60) CA1FABP3CA2NFKB1GPR84
Stearic Acid SCHEMBL9063410 0.98 FABP3 (0.60) CA1FABP3CA2NFKB1GPR84
Decanoic Acid SCHEMBL3323693 0.98 FABP3 (0.60) CA1FABP3CA2NFKB1GPR84
Palmitic Acid SCHEMBL15091868 0.98 FABP3 (0.60) CA1FABP3CA2NFKB1GPR84
Dodecanoate SCHEMBL230531 0.98 FABP3 (0.60) CA1FABP3CA2NFKB1GPR84
Octanoic Acid SCHEMBL16007959 0.96 DNM1 (0.60) CA1FABP3CA2NFKB1GPR84
Hexanoate SCHEMBL28546350 0.96 CA1 (0.60) CA1FABP3CA2NFKB1GPR84
Octanoic Acid SCHEMBL11573973 0.94 FABP3 (0.60) CA1FABP3NFKB1GPR84DNM1
Decanoic Acid SCHEMBL194214 0.94 FABP3 (0.60) CA1FABP3NFKB1GPR84DNM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399575-B2 Crosslinkable materials based on organosilicon compounds WACKER CHEMIE AG (DE) 2013-03-19 US disclosed
US-20120004364-A1 Crosslinkable Materials Based On Organosilicon Compounds WACKER CHEMIE AG (DE) 2012-01-05 US disclosed
US-20100305263-A1 CROSS-LINKABLE MASSES COMPRISING PHOSPHORUS COMPOUNDS WACKER CHEMIE AG (DE) 2010-12-02 US disclosed
US-20090062471-A1 CROSSLINKABLE MATERIALS BASED ON ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2009-03-05 US disclosed