SCHEMBL776834

SCHEMBL776834

CS(=O)(O)(O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ACHE P22303 1/20 0.38
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
TGM2 P21980 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR7 P34969 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL777363 0.79 ORAI1 (0.42) CA1CA2CES2CES1ACHE
SCHEMBL776792 0.75 CES2 (0.39) CA1CES2CES1PTGS1PTGS2
SCHEMBL778757 0.75 TDP1 (0.41) CES2CES1ACHEPTGS1PTGS2
SCHEMBL6009579 0.74 CA2 (0.35) CA1CA2CES2CES1ACHE
SCHEMBL776989 0.73 CES2 (0.42) CES2CES1ACHEALDH1A1MAPT
SCHEMBL776257 0.71 KCNN4 (0.38) CES2CES1BCL2L1BADORAI1
SCHEMBL776421 0.70 IDO1 (0.39) PTGS1PTGS2ALDH1A1TDP1
SCHEMBL778705 0.69 CES2 (0.42) CES2CES1ALDH1A1TDP1MAPT
Methyl Alcohol SCHEMBL27383192 0.67 ACHE (0.60) CA1CA2CES2CES1ACHE
SCHEMBL776991 0.67 PLOD2 (0.35) CA1CA2CES2CES1MAPT

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