SCHEMBL778768

SCHEMBL778768

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
ERN1 O75460 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
RIPK1 Q13546 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL19244700 0.78 CYP11B2 (0.32)
SCHEMBL778662 0.77 CES2 (0.39) CES2CES1PSEN1PSEN2APH1B
SCHEMBL776933 0.75 CES2 (0.45) CES2CES1PSEN1PSEN2APH1B
SCHEMBL775890 0.73 CA1 (0.38) CA1CA2
SCHEMBL25315167 0.71 TAAR1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26312524 0.71 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1994643 0.70 MEN1 (0.41) CES2CES1ERN1SLC6A3CA1
SCHEMBL18242010 0.70 CES2 (0.34) CES2CES1USP2POLBERN1
SCHEMBL23212715 0.70 MEN1 (0.41) CES2CES1ERN1SLC6A3CA1
SCHEMBL28874040 0.69 NPSR1 (0.36) USP2POLBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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