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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4647348

Cc1cccc([S+](c2ccc(-c3ccc([I+]c4ccc(-c5ccc([S+](c6cccc(C)c6C)c6cccc(C)c6C)cc5)cc4)cc3)cc2)c2cccc(C)c2C)c1C.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 0.36

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.36

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 SCHEMBL4643922 0.90 KCNH2 (0.37) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4641288 0.90 KCNH2 (0.33) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL6023777 0.90 KCNH2 (0.30) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4646935 0.90 KCNH2 (0.31) KCNH2
SCHEMBL4647322 0.89 — —
SCHEMBL4647077 0.85 — —
Perchlorate SCHEMBL4641544 0.83 — —
Trifluoromethanesulfonic Acid SCHEMBL4647342 0.81 GPR3 (0.36) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4643916 0.80 KCNH2 (0.44) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4643962 0.80 GPR3 (0.31) KCNH2

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