SCHEMBL778286

SCHEMBL778286

CCS(=O)(O)(O)c1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PKM P14618 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 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
SCHEMBL778554 0.80 CES2 (0.38) CES2CES1PKMPTGS1
SCHEMBL778757 0.78 TDP1 (0.41) CES2CES1PKMTDP1PTGS1
SCHEMBL775587 0.77 RIPK1 (0.33) CES2CES1PKM
SCHEMBL776902 0.75 CES2 (0.32) CES2CES1CA12CA1CA9
SCHEMBL776792 0.75 CES2 (0.39) CES2CES1CA12CA1CA9
SCHEMBL778123 0.74 CES2 (0.42) CES2CES1CA12CA1CA9
SCHEMBL777702 0.68 PKM (0.40) CES2CES1PKMCA9
SCHEMBL3887585 0.67 ACHE (0.36) CES2CES1PKMTDP1
SCHEMBL3883337 0.65 ACHE (0.41) TDP1
SCHEMBL778274 0.65 PKM (0.32) PKM

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