SCHEMBL776052

SCHEMBL776052

O=S(O)(O)(c1ccccc1)c1c(F)cc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 2/20 0.33
KCNN4 O15554 1/20 0.33
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL776725 0.81 CES2 (0.39) CES2CES1
SCHEMBL778809 0.80 EGFR (0.38) RAB9ANPC1EGFRKCNN4CES2
SCHEMBL776796 0.78 RAB9A (0.38) RAB9ANPC1HTTSMN1; SMN2EGFR
SCHEMBL776024 0.78 HTT (0.35) HTTGAA
SCHEMBL776257 0.75 KCNN4 (0.38) RAB9ANPC1SMN1; SMN2EGFRKCNN4
SCHEMBL779125 0.74 CES2 (0.41) RAB9ANPC1KCNN4CES2CES1
SCHEMBL278265 0.73 TSHR (0.39) SMN1; SMN2CES2CES1POLBALDH1A1
Benzene SCHEMBL28958130 0.73 TSHR (0.39) SMN1; SMN2CES2CES1POLBALDH1A1
SCHEMBL775906 0.69 CES2 (0.37) CES2CES1
SCHEMBL777129 0.68 CES2 (0.38) RAB9ANPC1CES2CES1POLB

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