SCHEMBL3882914

SCHEMBL3882914

CC(c1ccccc1F)[S+]([O-])C(C)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
HSD11B1 P28845 8/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
ACHE P22303 1/20 0.36
MAPKAPK2 P49137 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL778327 0.80 CYP3A4 (0.36) CYP3A4HSD11B1IDO1TDO2CES2
SCHEMBL20621908 0.75 ACHE (0.40) CYP3A4HSD11B1IDO1TDO2CES2
SCHEMBL31852251 0.74 GABRA1 (0.50) CYP3A4IDO1TDO2CES2CES1
SCHEMBL84442 0.74 GABRA1 (0.50) CYP3A4IDO1TDO2CES2CES1
SCHEMBL15903486 0.74 ACHE (0.43) CYP3A4HSD11B1IDO1TDO2CES2
SCHEMBL18488721 0.71 CYP3A4 (0.41) CYP3A4HSD11B1IDO1TDO2CES2
SCHEMBL2404367 0.71 HSD11B1 (0.44) CYP3A4HSD11B1IDO1TDO2CES2
SCHEMBL3884548 0.71 IDO1 (0.46) CYP3A4IDO1TDO2CES2CES1
SCHEMBL23139487 0.70 PDE2A (0.48) CYP3A4IDO1TDO2CES2CES1
SCHEMBL20809861 0.70 ACHE (0.40) CYP3A4HSD11B1IDO1TDO2CES2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-10333172-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-25 US disclosed
US-10290901-B2 2019-05-14 US disclosed
US-20170084955-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-23 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
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed