Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8736614

CC(C)(C)c1ccccc1-c1ccccc1I.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD11B1 P28845 4/20 0.38
PTPN5 P54829 1/20 0.35
SLC22A12 Q96S37 1/20 0.33
GPR3 P46089 1/20 0.33
CA2 P00918 1/20 0.32
PTPN1 P18031 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 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
Trifluoromethanesulfonic Acid SCHEMBL2483807 0.87 TSHR (0.44) ALDH1A1TSHRTDP1HSD11B1PTPN5
Trifluoromethanesulfonic Acid SCHEMBL7535106 0.87 TSHR (0.44) ALDH1A1TSHRTDP1HSD11B1PTPN5
SCHEMBL21798723 0.83 ALDH1A1 (0.43) ALDH1A1TSHRTDP1PTPN5CA2
Acetic Acid SCHEMBL4843586 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTDP1CA2MEN1
Trifluoromethanesulfonic Acid SCHEMBL1286190 0.79 CA2 (0.37) ALDH1A1TSHRTDP1HSD11B1PTPN5
Trifluoromethanesulfonic Acid SCHEMBL1270052 0.79 HSD11B1 (0.40) ALDH1A1HSD11B1CA2PTPN1MEN1
Trifluoromethanesulfonic Acid SCHEMBL8736613 0.78 PTPN1 (0.39) ALDH1A1TSHRTDP1HSD11B1PTPN5
Trifluoromethanesulfonic Acid SCHEMBL4975696 0.78 ALDH1A1 (0.35) ALDH1A1HSD11B1SLC22A12L3MBTL1
SCHEMBL10004171 0.77 ATM (0.32) TDP1
Trifluoromethanesulfonic Acid SCHEMBL8735167 0.77 TRPA1 (0.39) ALDH1A1TSHRHSD11B1GPR3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697387-B1 Improved method for the preparation of iodonium salts DOW CORNING (US) 1998-04-22 EP disclosed