SCHEMBL776465

SCHEMBL776465

CC(c1ccccc1F)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP3A4 P08684 2/20 0.41
HIF1A Q16665 2/20 0.39
GRM4 Q14833 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 1/20 0.37
EEF2K O00418 1/20 0.36
MC4R P32245 1/20 0.36

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
SCHEMBL777183 0.85 CES2 (0.45) CES2CES1CYP3A4HIF1AHTR2A
SCHEMBL3884132 0.83 CYP3A4 (0.40) CES2CES1CYP3A4HIF1AGRM4
SCHEMBL19550273 0.80 CA1 (0.42) CES2CES1CYP3A4HIF1AGRM4
SCHEMBL777719 0.78 PSIP1 (0.42) CES2CES1CYP3A4HIF1AGRM4
SCHEMBL27373607 0.78 GABRA1 (0.56) CYP3A4HIF1AMEN1KMT2AHTR2C
SCHEMBL3884585 0.78 ESR1 (0.43) ALDH1A1GAA
SCHEMBL776933 0.77 CES2 (0.45) CES2CES1
SCHEMBL11223588 0.76 L3MBTL1 (0.35) CYP3A4HIF1AKMT2AHTR2AHTR2C
SCHEMBL10978367 0.76 L3MBTL1 (0.35) CYP3A4HIF1AKMT2AHTR2AHTR2C
SCHEMBL15431784 0.76 CYP3A4 (0.42) CES2CES1CYP3A4HIF1ACNR2

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