SCHEMBL575129

SCHEMBL575129

CCCCP(=O)(O)OC(CC)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.37
LPAR1 Q92633 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
SMPD1 P17405 3/20 0.36
GABBR2 O75899 1/20 0.35
GABRR1 P24046 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
LPAR2 Q9HBW0 1/20 0.34
S1PR2 O95136 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR4 O95977 4/20 0.34

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
SCHEMBL575369 0.89 LPAR1 (0.32) LPAR3LPAR1SMPD1PLA2G2C
SCHEMBL4131183 0.83 TSHR (0.33) LPAR3LPAR1SMPD1PLA2G2C
SCHEMBL16924864 0.82 TRPM8 (0.38) LPAR3LPAR1TRPM8SMPD1
SCHEMBL575325 0.82 LAP3 (0.31)
SCHEMBL575277 0.79
SCHEMBL28688895 0.77 SMPD1 (0.38) LPAR3LPAR1SMPD1
SCHEMBL575324 0.77 LPAR3 (0.35) LPAR3LPAR1SMPD1GABBR2GABRR1
SCHEMBL777908 0.76 PLA2G2C (0.44) LPAR3TRPM8SMPD1GABBR2GABRR1
SCHEMBL575451 0.76 LAP3 (0.32) LPAR3LPAR1
SCHEMBL4128402 0.76 LPAR3 (0.34) LPAR3LPAR1SMPD1GABBR2GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9093716-B2 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-28 US disclosed
EP-2418723-A1 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same Mitsubishi Chemical Corporation (JP) 2012-02-15 EP disclosed
EP-2378602-A2 Nonaqueous electrolyte for recherable battery, and recharchable battery with nonaqueous electrolyte Mitsubishi Chemical Corporation (JP) 2011-10-19 EP disclosed