SCHEMBL776568

SCHEMBL776568

O=S(O)(O)(CC(F)(F)F)c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KCNN4 O15554 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.34
PTPN1 P18031 1/20 0.33
MTOR P42345 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 1/20 0.32
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL776902 0.82 CES2 (0.32) CES2CES1
SCHEMBL776409 0.80 CES1 (0.35) CES1PTPN1
SCHEMBL778554 0.79 CES2 (0.38) CES2CES1MEN1KMT2APARP1
SCHEMBL776991 0.78 PLOD2 (0.35) CES2CES1KCNN4MEN1KMT2A
SCHEMBL776687 0.75 CES2 (0.45) CES2CES1KCNN4MEN1KMT2A
SCHEMBL778267 0.73 TAAR1 (0.40) PPARGTAAR1
SCHEMBL776989 0.72 CES2 (0.42) CES2CES1KCNN4MEN1KMT2A
SCHEMBL779125 0.71 CES2 (0.41) CES2CES1KCNN4MEN1KMT2A
SCHEMBL778409 0.69 CES2 (0.31) CES2CES1
SCHEMBL776472 0.69 CES2 (0.36) CES2CES1

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