SCHEMBL5963439

SCHEMBL5963439

CC(C)C(CCOP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.39
LPAR2 Q9HBW0 6/20 0.39
LPAR1 Q92633 4/20 0.39
SMPD1 P17405 3/20 0.36
PTPN1 P18031 1/20 0.36
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
METAP1 P53582 1/20 0.31
FBP1 P09467 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
SCHEMBL5963341 0.89 LPAR3 (0.46) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5963864 0.87 LPAR3 (0.48) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5963431 0.85 LPAR3 (0.52) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5963805 0.85 LPAR3 (0.41) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5963725 0.79 LPAR3 (0.42) LPAR3LPAR2LPAR1SMPD1PGK1
SCHEMBL1923670 0.79 SMPD1 (0.47) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5909088 0.77 LPAR3 (0.43) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL1270333 0.76 LPAR3 (0.46) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL4947119 0.74 SMPD1 (0.61) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5963444 0.74 LPAR3 (0.38) LPAR3LPAR2LPAR1SMPD1PGK1

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