SCHEMBL777129

SCHEMBL777129

O=S(O)(O)(c1ccccc1)c1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.38
CES1 P23141 4/20 0.38
BCHE P06276 1/20 0.38
KAT6A Q92794 1/20 0.33
KMT2A Q03164 3/20 0.33
ALB P02768 1/20 0.32
DAO P14920 1/20 0.31
DDO Q99489 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
TTR P02766 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
NPC1 O15118 2/20 0.30
MEN1 O00255 2/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
GRK6 P43250 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
SCHEMBL778369 0.86 CES2 (0.45) CES2CES1BCHEKMT2AALB
SCHEMBL777628 0.75 CES2 (0.42) CES2CES1BCHEALBTDP1
SCHEMBL778721 0.73 CES2 (0.41) CES2CES1BCHEKMT2ATDP1
SCHEMBL779125 0.73 CES2 (0.41) CES2CES1KAT6AKMT2AHPGD
SCHEMBL776796 0.73 RAB9A (0.38) CES2CES1CA9ALDH1A1NPC1
SCHEMBL776024 0.72 HTT (0.35) KMT2AMEN1
SCHEMBL12504005 0.72 DBH (0.39) TDP1HPGDCA12CA9ALDH1A1
Benzene SCHEMBL28958130 0.72 TSHR (0.39) CES2CES1DAOTDP1CA12
SCHEMBL278265 0.72 TSHR (0.39) CES2CES1DAOTDP1CA12
SCHEMBL6664316 0.72 ALDH1A1 (0.41) TDP1HPGDCA12CA9ALDH1A1

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