SCHEMBL3136040

SCHEMBL3136040

O=S(=O)(OS(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.45
CA2 P00918 13/20 0.45
HSD11B1 P28845 1/20 0.38
ESR2 Q92731 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
ESR1 P03372 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1I2 O75469 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 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
SCHEMBL3141391 0.99 CA1 (0.44) CA1CA2HSD11B1ESR2MMP1
SCHEMBL1615067 0.94 ESR1 (0.39) CA1CA2HSD11B1ESR2MMP2
SCHEMBL4578718 0.93 CA1 (0.48) CA1CA2ESR2MMP1MMP2
SCHEMBL965542 0.91 CA2 (0.44) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL60438 0.91 CA2 (0.44) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL4535203 0.91 CA2 (0.44) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL60138 0.91 CA2 (0.44) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL51400 0.90 CA1 (0.43) CA1CA2HSD11B1MMP1MMP2
SCHEMBL3136124 0.87 CA1 (0.43) CA1CA2HSD11B1NR1H2NR1I2
SCHEMBL3139139 0.87 CA1 (0.43) CA1CA2HSD11B1NR1H2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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