SCHEMBL775817

SCHEMBL775817

O=S(O)(O)(c1ccccc1)c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.35
CES2 O00748 2/20 0.35
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
KMT2A Q03164 1/20 0.32
ALB P02768 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KCNN4 O15554 2/20 0.31
GAA P10253 2/20 0.31
ACHE P22303 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
SCHEMBL778721 0.87 CES2 (0.41) CES1CES2ALDH1A1ALOX15NPC1
SCHEMBL777129 0.86 CES2 (0.38) CES1CES2ALDH1A1ALOX15NPC1
SCHEMBL776796 0.81 RAB9A (0.38) CES1CES2ALDH1A1NPC1RAB9A
SCHEMBL12504005 0.77 DBH (0.39) ALDH1A1ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL278265 0.77 TSHR (0.39) CES1CES2ALDH1A1ALOX15SMN1; SMN2
Benzene SCHEMBL28958130 0.77 TSHR (0.39) CES1CES2ALDH1A1ALOX15SMN1; SMN2
SCHEMBL3892065 0.75 TSHR (0.36) ALDH1A1NPC1RAB9AERCC5FEN1
SCHEMBL776618 0.74 CES2 (0.38) CES1CES2ALDH1A1ALOX15NPC1
SCHEMBL776257 0.74 KCNN4 (0.38) CES1CES2NPC1RAB9ASMN1; SMN2
SCHEMBL776024 0.72 HTT (0.35) KMT2AGAA

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