SCHEMBL778721

SCHEMBL778721

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NFE2L2 Q16236 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCHE P06276 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
PSIP1 O75475 1/20 0.32
PTPN1 P18031 1/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 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
SCHEMBL775817 0.87 CES1 (0.35) CES2CES1ALDH1A1ALOX15NPC1
SCHEMBL778369 0.81 CES2 (0.45) CES2CES1ALDH1A1ALOX15NPC1
SCHEMBL776618 0.81 CES2 (0.38) CES2CES1ALDH1A1ALOX15NPC1
SCHEMBL778145 0.76 PSIP1 (0.39) CES2CES1ALDH1A1ALOX15NPC1
SCHEMBL777129 0.73 CES2 (0.38) CES2CES1ALDH1A1ALOX15NPC1
SCHEMBL776755 0.71 CES2 (0.45) CES2CES1ALDH1A1NPC1RAB9A
SCHEMBL3887558 0.70 TSHR (0.43) ALDH1A1NPC1RAB9AACHEGAA
SCHEMBL777628 0.69 CES2 (0.42) CES2CES1ALDH1A1ACHEGAA
Formaldehyde SCHEMBL27262525 0.68 CES2 (0.48) CES2CES1ALDH1A1ALOX15NPC1
SCHEMBL776796 0.68 RAB9A (0.38) CES2CES1ALDH1A1NPC1RAB9A

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