Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8735160

Ic1ccc([I+]c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.42
PTPN1 P18031 1/20 0.35
ITGA1 P56199 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
KCNH2 Q12809 6/20 0.31
ACHE P22303 1/20 0.31
RIPK1 Q13546 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31

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 SCHEMBL36177 0.89 GPR3 (0.50) GPR3PTPN1CA1CA2CA5A
Trifluoromethanesulfonic Acid SCHEMBL503264 0.84 GPR3 (0.43) GPR3PTPN1
Trifluoromethanesulfonic Acid SCHEMBL9279810 0.84 GPR3 (0.46) GPR3PTPN1CA1CA2CA5A
Trifluoromethanesulfonic Acid SCHEMBL8735181 0.83 GPR3 (0.42) GPR3PTPN1CA1CA2CA5A
Trifluoromethanesulfonic Acid SCHEMBL2851342 0.83 GPR3 (0.47) GPR3CA1CA2CA5ACA9
Trifluoromethanesulfonic Acid SCHEMBL3147966 0.83 GPR3 (0.42) GPR3PTPN1CA1CA2CA9
Trifluoromethanesulfonic Acid SCHEMBL30407359 0.81 GPR3 (0.43) GPR3PTPN1CA1CA2CA5A
Trifluoromethanesulfonic Acid SCHEMBL1270048 0.80 HSD11B1 (0.41) GPR3PTPN1CA1CA2ACHE
Trifluoromethanesulfonic Acid SCHEMBL1002309 0.80 HSD11B1 (0.41) GPR3PTPN1CA1CA2ACHE
Trifluoromethanesulfonic Acid SCHEMBL361656 0.79 KCNH2 (0.46) GPR3MMP2MMP9KCNH2ACHE

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
CN-117024237-A Aryl sulfonyl fluoride and preparation method using aryl iodonium salt as raw material 上海应用技术大学 2023-11-10 CN disclosed
EP-0697387-B1 Improved method for the preparation of iodonium salts DOW CORNING (US) 1998-04-22 EP disclosed