SCHEMBL776991

SCHEMBL776991

O=S(O)(O)(CC(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KCNN4 O15554 1/20 0.31
PTPN1 P18031 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
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
SCHEMBL776409 0.82 CES1 (0.35) CES1PTPN1SMN1; SMN2
SCHEMBL776902 0.80 CES2 (0.32) CES2CES1CA1
SCHEMBL776568 0.78 CES2 (0.36) MEN1KMT2ACES2CES1KCNN4
SCHEMBL778757 0.75 TDP1 (0.41) MEN1KMT2ACES2CES1PTPN1
SCHEMBL778154 0.74 CES2 (0.36) MEN1KMT2ACES2CES1KCNN4
SCHEMBL776954 0.73 IDO1 (0.35) PLOD2LMNA
SCHEMBL777363 0.71 ORAI1 (0.42) CES2CES1KCNN4PTPN1NPC1
SCHEMBL778409 0.71 CES2 (0.31) CES2CES1
SCHEMBL777038 0.68
SCHEMBL776834 0.67 CA1 (0.41) CES2CES1KCNN4MAPTCA1

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