SCHEMBL778662

SCHEMBL778662

CC(c1cc(F)cc(F)c1)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
SLC6A3 Q01959 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
GRIA2 P42262 1/20 0.33
NR1I2 O75469 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
GRIA4 P48058 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GBA1 P04062 3/20 0.31
EEF2K O00418 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 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
SCHEMBL775897 0.80 HDAC4 (0.46) CES2CES1
SCHEMBL778325 0.78 HTT (0.40) CES2CES1CA1
SCHEMBL778768 0.77 CES2 (0.33) CES2CES1FABP3FABP4FABP5
SCHEMBL23794706 0.71 S1PR2 (0.35) FABP3FABP4FABP5
Fluoromethane SCHEMBL27938457 0.70 SRC (0.50)
SCHEMBL1154665 0.69 CES2 (0.46) CES2CES1SLC6A3CA12CA1
SCHEMBL4094087 0.69 CES2 (0.46) CES2CES1SLC6A3CA12CA1
SCHEMBL1321039 0.69 CES2 (0.46) CES2CES1SLC6A3CA12CA1
SCHEMBL3398714 0.68 SRC (0.54)
SCHEMBL3390806 0.68 SRC (0.54)

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