SCHEMBL1710243

SCHEMBL1710243

CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])c1cc(S(=O)(=O)O)c(CCO)c(C(=O)[O-])c1CCO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.31
CA2 P00918 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
SCHEMBL6934111 0.85
SCHEMBL6686080 0.84 S1PR3 (0.35) S1PR3CA2
SCHEMBL9476987 0.79 CA2 (0.32) CA2
SCHEMBL1710245 0.78 S1PR3 (0.38) S1PR3CA2
SCHEMBL7789819 0.74
SCHEMBL11161192 0.72 GPR84 (0.39) S1PR3CA2
Ethylene Glycol SCHEMBL3142770 0.70 CA2 (0.35) S1PR3CA2
Ethylene Glycol SCHEMBL3142777 0.70 CA2 (0.35) S1PR3CA2
Pyromellitic Acid SCHEMBL29010176 0.70 DNM1 (0.43) CA2
SCHEMBL1073390 0.69 ALDH1A1 (0.38) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345681-A1 COPOLYURETHANE RESIN HAVING POLYLACTIC ACID SEGMENT, AND AQUEOUS EMULSION AND COATING FLUID COMPOSITION, CONTAINING SAME Toyo Boseki Kabushiki Kaisha (JP) 2011-07-20 EP disclosed