SCHEMBL777385

SCHEMBL777385

O=S(O)(O)(CC(F)(F)F)c1ccccc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.32
CES2 O00748 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
PSIP1 O75475 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
SCHEMBL776472 0.86 CES2 (0.36) CES1CES2
SCHEMBL778154 0.79 CES2 (0.36) CES1CES2ALDH1A1
SCHEMBL778145 0.77 PSIP1 (0.39) CES1CES2ALDH1A1ALOX15NPC1
SCHEMBL776409 0.75 CES1 (0.35) CES1ALDH1A1
SCHEMBL778721 0.73 CES2 (0.41) CES1CES2ALDH1A1ALOX15NPC1
SCHEMBL776047 0.71 TAAR1 (0.37) ALDH1A1
SCHEMBL776618 0.70 CES2 (0.38) CES1CES2ALDH1A1ALOX15NPC1
SCHEMBL778409 0.68 CES2 (0.31) CES1CES2
SCHEMBL776568 0.68 CES2 (0.36) CES1CES2
SCHEMBL775817 0.67 CES1 (0.35) CES1CES2ALDH1A1ALOX15NPC1

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