SCHEMBL778642

SCHEMBL778642

O=S(O)(O)(CF)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CES2 O00748 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AKR1B1 P15121 1/20 0.31
HIF1A Q16665 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
SCHEMBL778703 0.82 CFTR (0.31)
SCHEMBL776409 0.76 CES1 (0.35) CES1SMN1; SMN2CYP3A4HIF1A
SCHEMBL777199 0.73 CES1 (0.33) CES1
SCHEMBL779904 0.73 TSHR (0.33) MEN1KMT2A
SCHEMBL775658 0.73 CES1 (0.33) CES1
SCHEMBL5042529 0.72 CES1 (0.33) CES1SMN1; SMN2CES2CYP3A4MAPT
SCHEMBL776868 0.71 ALDH1A1 (0.40) SMN1; SMN2KDM4ECYP3A4KMT2ATDP1
SCHEMBL778493 0.71 TAAR1 (0.39) SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL278265 0.71 TSHR (0.39) CES1SMN1; SMN2CES2CYP3A4MAPT
SCHEMBL10639940 0.71 NPSR1 (0.38) CES1SMN1; SMN2CES2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 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-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 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