SCHEMBL4136632

SCHEMBL4136632

CCc1c(C)cccc1[S+]([O-])c1cccc(C)c1CC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
NR3C1 P04150 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTR1D P28221 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
SCHEMBL4122058 0.78 KDM4E (0.36) ALDH1A1TAAR1
SCHEMBL597056 0.77 CYP2A6 (0.45) NOS3NOS2CYP1A2CYP2A6ALDH1A1
SCHEMBL3676327 0.73 TRPA1 (0.42) CYP1A2CYP2A6ALDH1A1CA1CA2
SCHEMBL29468607 0.72 TSHR (0.47) CYP1A2CYP2A6ALDH1A1CA1CA2
SCHEMBL235850 0.72 TSHR (0.47) CYP1A2CYP2A6ALDH1A1CA1CA2
SCHEMBL4136348 0.70 ACHE (0.37) CYP1A2CYP2A6ALDH1A1CA1CA2
SCHEMBL11874350 0.70 NOS3 (0.36) NOS3NOS2CYP1A2CYP2A6ALDH1A1
SCHEMBL7112350 0.70 CYP2A6 (0.35) CYP1A2CYP2A6ALDH1A1CA1CA2
SCHEMBL169506 0.69 GABRA1 (0.48) NOS3NOS2CYP1A2CYP2A6ALDH1A1
SCHEMBL3258673 0.69 GABRA1 (0.48) NOS3NOS2CYP1A2CYP2A6ALDH1A1

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 12 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
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP 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