SCHEMBL778705

SCHEMBL778705

CS(=O)(O)(O)c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 3/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL776755 0.83 CES2 (0.45) CES2CES1HTTALDH1A1CA3
SCHEMBL777702 0.79 PKM (0.40) CES2CES1HTTALDH1A1CA3
SCHEMBL776618 0.74 CES2 (0.38) CES2CES1ALDH1A1TDP1GAA
SCHEMBL776796 0.73 RAB9A (0.38) CES2CES1HTTALDH1A1CA3
SCHEMBL778154 0.72 CES2 (0.36) CES2CES1ALDH1A1CA3CA6
SCHEMBL775906 0.71 CES2 (0.37) CES2CES1CA9
SCHEMBL776834 0.69 CA1 (0.41) CES2CES1ALDH1A1TDP1MAPT
SCHEMBL777628 0.67 CES2 (0.42) CES2CES1ALDH1A1TDP1GAA
SCHEMBL776989 0.67 CES2 (0.42) CES2CES1HTTALDH1A1MEN1
Methyl Alcohol SCHEMBL27340608 0.64 CA3 (0.55) CES2CES1HTTALDH1A1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed