SCHEMBL5963549

SCHEMBL5963549

O=P(O)(O)OCCC(OP(=O)(O)O)C(F)(C(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 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
SCHEMBL5963819 0.89 LPAR3 (0.38) LPAR3LPAR1LPAR2
SCHEMBL5963395 0.88 LPAR3 (0.40) LPAR3LPAR1LPAR2
SCHEMBL5964031 0.77 LPAR3 (0.32) LPAR3LPAR1LPAR2
SCHEMBL5963444 0.74 LPAR3 (0.38) LPAR3LPAR1LPAR2
SCHEMBL5964230 0.72
SCHEMBL5964440 0.71 LPAR3 (0.40) LPAR3LPAR1LPAR2
SCHEMBL5963321 0.68 LPAR3 (0.37) LPAR3LPAR1LPAR2
SCHEMBL990009 0.67 LPAR3 (0.38) LPAR3LPAR1LPAR2
SCHEMBL5963343 0.67 LPAR3 (0.40) LPAR3LPAR1LPAR2
SCHEMBL16563551 0.66 LPAR3 (0.36) LPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060172201-A1 Non-aqueous electrolyte and lithium secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-03 US disclosed
EP-1357628-A1 NONAQUEOUS ELECTROLYTIC LIQUIDS AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-10-29 EP disclosed