SCHEMBL777702

SCHEMBL777702

CCS(=O)(O)(O)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
GAA P10253 1/20 0.37
RIPK1 Q13546 3/20 0.35
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL778154 0.79 CES2 (0.36) CES2CES1GAARIPK1CA3
SCHEMBL778705 0.79 CES2 (0.42) CES2CES1GAAHTTMAPT
SCHEMBL776755 0.78 CES2 (0.45) CES2CES1GAAHTTMAPT
SCHEMBL778145 0.77 PSIP1 (0.39) CES2CES1GAARIPK1MAPT
SCHEMBL775587 0.75 RIPK1 (0.33) PKMCES2CES1RIPK1HTT
SCHEMBL778757 0.72 TDP1 (0.41) PKMCES2CES1MAPTALDH1A1
SCHEMBL778554 0.70 CES2 (0.38) PKMCES2CES1RIPK1MAPT
SCHEMBL775885 0.70 CES2 (0.38) CES2CES1RIPK1
SCHEMBL776796 0.69 RAB9A (0.38) CES2CES1GAAHTTMAPT
SCHEMBL778286 0.68 CES2 (0.34) PKMCES2CES1CA9

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