SCHEMBL4136349

SCHEMBL4136349

Cc1ccc([S+]([O-])c2ccc(C)cc2F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.36
ACHE P22303 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
AKR1B1 P15121 1/20 0.33
PTGS2 P35354 2/20 0.32
TDP1 Q9NUW8 4/20 0.31
CYP3A4 P08684 2/20 0.31
TP53 P04637 2/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13461896 0.84 NFE2L2 (0.35) NFE2L2ACHECYP1A2CYP2A6AKR1B1
SCHEMBL20048654 0.83 NFE2L2 (0.34) NFE2L2ACHECYP1A2CYP2A6AKR1B1
SCHEMBL16269560 0.81 ACHE (0.39) NFE2L2ACHECYP2A6TDP1TP53
SCHEMBL13461865 0.79 AKR1B1 (0.33) NFE2L2ACHECYP1A2CYP2A6AKR1B1
SCHEMBL30899314 0.76 TDP1 (0.42) ACHECYP1A2CYP2A6TDP1CYP3A4
SCHEMBL775910 0.76 ALDH1A1 (0.42) NFE2L2CYP1A2CYP2A6TDP1SMN1; SMN2
SCHEMBL360036 0.76 TDP1 (0.42) ACHECYP1A2CYP2A6TDP1CYP3A4
SCHEMBL8388713 0.73 ESR1 (0.41)
SCHEMBL27640334 0.73 CYP2A6 (0.35) ACHECYP1A2CYP2A6TDP1CYP3A4
SCHEMBL4123111 0.72 TRPA1 (0.38) CYP1A2CYP2A6TP53SMN1; SMN2TRPA1

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 11 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-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 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-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20150056503-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-26 US disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed