SCHEMBL776618

SCHEMBL776618

CS(=O)(O)(O)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
ACHE P22303 1/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PSIP1 O75475 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BCHE P06276 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL777628 0.83 CES2 (0.42) CES2CES1ACHEGAAALDH1A1
SCHEMBL778721 0.81 CES2 (0.41) CES2CES1ACHEGAAALDH1A1
SCHEMBL778145 0.77 PSIP1 (0.39) CES2CES1ACHEGAAALDH1A1
SCHEMBL778705 0.74 CES2 (0.42) CES2CES1GAAALDH1A1MEN1
SCHEMBL778094 0.68 TAAR1 (0.42) ALDH1A1NPC1MEN1KMT2A
SCHEMBL778369 0.68 CES2 (0.45) CES2CES1ALDH1A1ALOX15NPC1
SCHEMBL777129 0.66 CES2 (0.38) CES2CES1ALDH1A1ALOX15NPC1
SCHEMBL6009579 0.65 CA2 (0.35) CES2CES1ACHEALDH1A1ALOX15
Methyl Alcohol SCHEMBL27855307 0.65 ACHE (0.56) CES2CES1ACHEGAAALDH1A1
Acetone SCHEMBL27946367 0.64 CES2 (0.55) CES2CES1ACHEGAAALDH1A1

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