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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4643922

Cc1ccccc1[S+](c1ccc(-c2ccc([I+]c3ccc(-c4ccc([S+](c5ccccc5C)c5ccccc5C)cc4)cc3)cc2)cc1)c1ccccc1C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.37

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.37
▸ GPR3 P46089 2/20 0.33
▸ KIF11 P52732 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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 SCHEMBL4647348 0.90 KCNH2 (0.36) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4643751 0.89 HTT (0.33) KCNH2GPR3PTPN1
Trifluoromethanesulfonic Acid SCHEMBL4643962 0.89 GPR3 (0.31) KCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL4644622 0.89 KCNH2 (0.34) KCNH2GPR3
SCHEMBL4643404 0.88 — —
Trifluoromethanesulfonic Acid SCHEMBL4645187 0.87 HTT (0.35) KCNH2GPR3PTPN1
Trifluoromethanesulfonic Acid SCHEMBL4641619 0.87 KCNH2 (0.30) KCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL4641793 0.87 KCNH2 (0.33) KCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL4647342 0.85 GPR3 (0.36) KCNH2GPR3
SCHEMBL4641256 0.84 — —

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
EP-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 — — EP disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 — — US disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 — — US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 — — EP disclosed