SCHEMBL9957908

SCHEMBL9957908

CS(=O)(=O)Oc1cc(F)c2c(c1F)CCCC2

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.31
SCN9A Q15858 2/20 0.31
PARP1 P09874 1/20 0.31
PTPN1 P18031 1/20 0.31
BRD4 O60885 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALPL P05186 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9957342 0.79 NLRP3 (0.33) SCN9A
SCHEMBL11028656 0.75 CES1 (0.39) SCN9ACYP1A2ALPLTSHRHSD17B10
SCHEMBL9958666 0.73 STS (0.37) SCN9APARP1
SCHEMBL9958008 0.72 STS (0.39) PTGS2SCN9A
SCHEMBL9958312 0.72 CA1 (0.38)
SCHEMBL9957639 0.71 NLRP3 (0.33)
SCHEMBL9958358 0.70 STS (0.46) SCN9ACYP1A2ALPLTSHRHSD17B10
SCHEMBL3750956 0.70 PTGS2 (0.37) PTGS2SCN9APTPN1CYP1A2ALPL
SCHEMBL3742535 0.69 CES2 (0.36) PTGS2SCN9ACYP1A2ALPLTSHR
SCHEMBL9958011 0.69 TUBB1 (0.35) PTGS2PTPN1CYP1A2ALPLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029024-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
EP-2469638-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTROCHEMICAL DEVICE USING THE SAME UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
US-20120189919-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2469638-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-06-27 EP disclosed