SCHEMBL4132814

SCHEMBL4132814

Cc1ccc(S(=O)(=O)OC2CCCCC2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 0.41
ENPP2 Q13822 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.39
HTR6 P50406 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL8744470 0.89 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8744478 0.89 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8744474 0.89 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL23675246 0.88 CYP2D6 (0.51) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL14779900 0.85 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4130979 0.84 MAPK1 (0.45) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5222510 0.83 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL13967490 0.83 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL2632637 0.83 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5222514 0.83 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1

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