SCHEMBL776969

SCHEMBL776969

O=S(=O)(O)Cc1c(F)cc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
TGM2 P21980 1/20 0.35
RIPK1 Q13546 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
ERN1 O75460 1/20 0.33
CNR1 P21554 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 2/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4007057 0.79 MEN1 (0.42) CES2CES1MMP1MMP2MMP9
SCHEMBL16140109 0.79 FAAH (0.38) CES2CES1TGM2RIPK1ERN1
SCHEMBL778769 0.78 TAAR1 (0.38) CES2CES1RIPK1MMP1MMP2
SCHEMBL1272118 0.77 CA1 (0.36) CES2CES1TGM2RIPK1ALDH1A1
SCHEMBL1272116 0.77 TGM2 (0.35) CES2CES1TGM2RIPK1PSEN1
SCHEMBL20084797 0.77 TGM2 (0.35) CES2CES1TGM2RIPK1CNR1
SCHEMBL11860060 0.77 CA1 (0.41) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL4007422 0.77 MEN1 (0.41) CES2CES1MMP1MMP2MMP9
SCHEMBL778121 0.77 IDO1 (0.46) CES2CES1RIPK1PSEN1PSEN2
SCHEMBL14378233 0.76 RIPK1 (0.38) CES2CES1TGM2RIPK1

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