SCHEMBL776792

SCHEMBL776792

CS(=O)(O)(O)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
EGFR P00533 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
SCHEMBL778123 0.79 CES2 (0.42) CES2CES1CA12CA1CA9
SCHEMBL776989 0.78 CES2 (0.42) CES2CES1
SCHEMBL776834 0.75 CA1 (0.41) CES2CES1CA1PTGS1PTGS2
SCHEMBL778286 0.75 CES2 (0.34) CES2CES1CA12CA1CA9
SCHEMBL775906 0.73 CES2 (0.37) CES2CES1CA12CA1CA9
SCHEMBL778809 0.69 EGFR (0.38) CES2CES1CA12CA1CA9
Methyl Alcohol SCHEMBL27837464 0.67 CA9 (0.60) CES2CES1CA12CA1CA9
SCHEMBL776902 0.67 CES2 (0.32) CES2CES1CA12CA1CA9
SCHEMBL778705 0.64 CES2 (0.42) CES2CES1CA9
Acetic Acid SCHEMBL27478470 0.64 CES2 (0.55) CES2CES1CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
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-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 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