SCHEMBL4135542

SCHEMBL4135542

O=S(=O)(O)OC=C(F)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
CES1 P23141 4/20 0.36
CYP2C19 P33261 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
TSHR P16473 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
CES2 O00748 3/20 0.33
AKR1C1 Q04828 2/20 0.33
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 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
SCHEMBL2024278 0.71 ALDH1A1 (0.45) ALDH1A1TDP1MAPK1CES1CYP2C19
SCHEMBL4139246 0.71 CES1 (0.38) ALDH1A1TDP1MAPK1CES1CYP2C19
SCHEMBL4139249 0.69 CES1 (0.36) ALDH1A1TDP1MAPK1CES1CYP2C19
SCHEMBL28150019 0.69 TDP1 (0.44) ALDH1A1TDP1MAPK1CES1CYP2C19
SCHEMBL23536251 0.68 ALDH1A1 (0.42) ALDH1A1TDP1MAPK1CES1CYP2C19
SCHEMBL29931991 0.68 ALDH1A1 (0.42) ALDH1A1TDP1MAPK1CES1CYP2C19
SCHEMBL6722688 0.68 CES1 (0.43) ALDH1A1TDP1MAPK1CES1TSHR
Chlorobenzene SCHEMBL28479612 0.67 TSHR (0.44) ALDH1A1TDP1CES1L3MBTL1CYP1A2
Benzoic Acid SCHEMBL15742895 0.66 TSHR (0.70) ALDH1A1TDP1CES1CYP2C19L3MBTL1
SCHEMBL4135540 0.65 ALDH1A1 (0.36) ALDH1A1TDP1MAPK1CES1CYP2C19

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 10 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-20170084955-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-23 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