SCHEMBL5963976

SCHEMBL5963976

CCCC(F)(OP(=O)(O)O)C(F)(F)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.43
FDPS P14324 10/20 0.39
LPAR3 Q9UBY5 4/20 0.37
LPAR1 Q92633 3/20 0.37
GGPS1 O95749 4/20 0.31
LPAR2 Q9HBW0 2/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL5963832 0.89 SMPD1 (0.41) SMPD1FDPSLPAR3LPAR1S1PR2
SCHEMBL5963995 0.83 SMPD1 (0.37) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL5963412 0.81 SMPD1 (0.41) SMPD1FDPSLPAR3LPAR1S1PR2
SCHEMBL5963470 0.79 SMPD1 (0.40) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL5963278 0.78 SMPD1 (0.42) SMPD1FDPSLPAR3LPAR1GGPS1
SCHEMBL5963871 0.77 SMPD1 (0.41) SMPD1FDPSLPAR3LPAR1S1PR2
SCHEMBL5963707 0.77 SMPD1 (0.45) SMPD1FDPSLPAR3LPAR1GGPS1
SCHEMBL6415833 0.72 SMPD1 (0.38) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL5491040 0.72 TDP1 (0.39) SMPD1FDPS
SCHEMBL5908958 0.72 SMPD1 (0.50) SMPD1FDPSLPAR3LPAR1GGPS1

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