SCHEMBL5963958

SCHEMBL5963958

O=P(O)(O)OCCCCCC(OP(=O)(O)O)C(F)(F)CF

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.42
LPAR2 Q9HBW0 6/20 0.42
LPAR1 Q92633 6/20 0.42
SMPD1 P17405 3/20 0.36
PTPN1 P18031 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31

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
SCHEMBL5963343 0.98 LPAR3 (0.40) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5963321 0.94 LPAR3 (0.37) LPAR3LPAR2LPAR1SMPD1
SCHEMBL5964031 0.87 LPAR3 (0.32) LPAR3LPAR2LPAR1
SCHEMBL5963686 0.85 LPAR3 (0.40) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5963791 0.84 LPAR3 (0.38) LPAR3LPAR2LPAR1SMPD1
SCHEMBL5963479 0.83 LPAR3 (0.38) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5963837 0.81 LPAR3 (0.36) LPAR3LPAR2LPAR1SMPD1
SCHEMBL5963914 0.80 LPAR3 (0.50) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5963395 0.79 LPAR3 (0.40) LPAR3LPAR2LPAR1SMPD1S1PR2
SCHEMBL5964440 0.79 LPAR3 (0.40) LPAR3LPAR2LPAR1SMPD1

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