SCHEMBL779010

SCHEMBL779010

Cc1ccc(S(=O)(=O)O)cc1-c1c(F)cc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.38
PTGS1 P23219 4/20 0.38
SNCA P37840 1/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34

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
SCHEMBL779326 0.83 PTGS2 (0.39) PTGS2PTGS1SNCAALDH1A1HSD17B10
SCHEMBL780396 0.83 PARP1 (0.40) PTGS2PTGS1PARP1FFAR4
SCHEMBL778650 0.82 PTGS2 (0.39) PTGS2PTGS1SNCAPARP1ALDH1A1
SCHEMBL11324926 0.80 ALDH1A1 (0.45) SNCAALDH1A1HSD17B10
SCHEMBL778956 0.79 PTGS2 (0.50) PTGS2PTGS1FFAR4
SCHEMBL780162 0.77 KMT2A (0.40) PTGS2PTGS1SNCA
SCHEMBL3163675 0.77 HDAC1 (0.43) PTGS2PTGS1SNCAALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL28120804 0.75 HDAC1 (0.42) PTGS2PTGS1SNCAALDH1A1HSD17B10
SCHEMBL776846 0.75 SLC9A1 (0.39) PTGS2PTGS1SNCAALDH1A1HSD17B10
SCHEMBL776573 0.75 PTPN1 (0.42) PTGS2PTGS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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