SCHEMBL777628

SCHEMBL777628

CS(=O)(O)(O)c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.42
CES1 P23141 5/20 0.42
BCHE P06276 1/20 0.42
HPGD P15428 1/20 0.33
ALB P02768 1/20 0.31
ERN1 O75460 1/20 0.31
RIPK1 Q13546 1/20 0.31
HDAC4 P56524 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
PTGS2 P35354 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL778369 0.83 CES2 (0.45) CES2CES1BCHEHPGDALB
SCHEMBL776618 0.83 CES2 (0.38) CES2CES1BCHEALDH1A1TDP1
SCHEMBL775885 0.79 CES2 (0.38) CES2CES1BCHEHPGDRIPK1
SCHEMBL777129 0.75 CES2 (0.38) CES2CES1BCHEHPGDALB
SCHEMBL776472 0.72 CES2 (0.36) CES2CES1BCHERIPK1
Methyl Alcohol SCHEMBL27837385 0.69 CES2 (0.52) CES2CES1BCHEHPGDALB
SCHEMBL778721 0.69 CES2 (0.41) CES2CES1BCHEHPGDALDH1A1
SCHEMBL778705 0.67 CES2 (0.42) CES2CES1HPGDALDH1A1TDP1
Acetic Acid SCHEMBL17924779 0.66 CES2 (0.56) CES2CES1BCHEHPGDALB
SCHEMBL778145 0.65 PSIP1 (0.39) CES2CES1RIPK1ALDH1A1GAA

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