SCHEMBL3136267

SCHEMBL3136267

FC(F)(F)c1ccc([S+](c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KIF11 P52732 2/20 0.35
CA1 P00915 7/20 0.35
CA2 P00918 7/20 0.35
PTPN1 P18031 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
EEF2K O00418 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL3135957 1.00 HSD11B1 (0.35) HSD11B1ALDH1A1TSHRKIF11CA1
SCHEMBL3126285 1.00 HSD11B1 (0.35) HSD11B1ALDH1A1TSHRKIF11CA1
SCHEMBL3135810 1.00 HSD11B1 (0.35) HSD11B1ALDH1A1TSHRKIF11CA1
SCHEMBL3144255 0.99 ALDH1A1 (0.36) HSD11B1ALDH1A1TSHRKIF11CA1
SCHEMBL1262975 0.99 ALDH1A1 (0.36) HSD11B1ALDH1A1TSHRKIF11CA1
SCHEMBL5460844 0.94 ALDH1A1 (0.37) HSD11B1ALDH1A1TSHRKIF11PTPN1
SCHEMBL546546 0.91 CA2 (0.39) CA1CA2PTPN1MMP1MMP2
Perflubutane SCHEMBL6325042 0.91 CA2 (0.39) CA1CA2PTPN1MMP1MMP2
SCHEMBL4535202 0.91 CA2 (0.39) CA1CA2PTPN1MMP1MMP2
SCHEMBL5567499 0.91 CA2 (0.39) CA1CA2PTPN1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
EP-1676835-A1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2006-07-05 EP disclosed