SCHEMBL776687

SCHEMBL776687

O=S(O)(O)(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
PARP1 P09874 1/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACHE P22303 1/20 0.39
TSHR P16473 1/20 0.39
KCNN4 O15554 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ESR2 Q92731 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CA12 O43570 1/20 0.35
MMP2 P08253 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL779125 0.94 CES2 (0.41) CES2CES1PARP1HDAC1HDAC6
SCHEMBL776989 0.83 CES2 (0.42) CES2CES1PARP1HDAC1HDAC6
SCHEMBL778809 0.78 EGFR (0.38) CES2CES1KCNN4CA12CA9
SCHEMBL778554 0.78 CES2 (0.38) CES2CES1PARP1HDAC1HDAC6
SCHEMBL778123 0.75 CES2 (0.42) CES2CES1CA12CA9
SCHEMBL776568 0.75 CES2 (0.36) CES2CES1PARP1HDAC1HDAC6
SCHEMBL776257 0.73 KCNN4 (0.38) CES2CES1KCNN4MEN1KMT2A
SCHEMBL3896461 0.73 ACHE (0.48) PARP1HDAC6ACHETSHRKMT2A
Formaldehyde SCHEMBL27503397 0.72 ACHE (0.52) CES2CES1PARP1HDAC1HDAC6
SCHEMBL777363 0.70 ORAI1 (0.42) CES2CES1ACHEKCNN4MMP2

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