SCHEMBL5963914

SCHEMBL5963914

CC(C)(C)C(CCCCCOP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.50
LPAR2 Q9HBW0 6/20 0.50
LPAR1 Q92633 6/20 0.50
SMPD1 P17405 3/20 0.42
LPAR5 Q9H1C0 1/20 0.36
PTPN1 P18031 1/20 0.35
SGPL1 O95470 2/20 0.33

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
SCHEMBL5964485 0.98 LPAR3 (0.47) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL5963496 0.93 LPAR3 (0.44) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL5963444 0.86 LPAR3 (0.38) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL29758195 0.83 SMPD1 (0.62) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL29758249 0.83 SMPD1 (0.62) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL28982769 0.81 SMPD1 (0.61) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL28982777 0.81 SMPD1 (0.61) LPAR3LPAR2LPAR1SMPD1PTPN1
SCHEMBL5963958 0.80 LPAR3 (0.42) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL5963431 0.78 LPAR3 (0.52) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL5963343 0.78 LPAR3 (0.40) LPAR3LPAR2LPAR1SMPD1PTPN1

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