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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4643180

Cc1cc(C)c([S+](c2ccc(Cc3ccc([I+]c4ccc(Cc5ccc([S+](c6c(C)cc(C)cc6C)c6c(C)cc(C)cc6C)cc5)cc4)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1.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 0.38

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ GPR3 P46089 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
SCHEMBL4641443 0.89 KCNH2 (0.31) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4644226 0.89 KCNH2 (0.35) KCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL4644616 0.86 KCNH2 (0.44) KCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL4641286 0.86 KCNH2 (0.39) KCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL4646584 0.86 FFAR4 (0.36) KCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL4641835 0.86 GPR3 (0.31) GPR3
SCHEMBL4641392 0.85 HDAC11 (0.31) —
Perchlorate SCHEMBL4641833 0.83 CA1 (0.31) —
Trifluoromethanesulfonic Acid SCHEMBL4644622 0.81 KCNH2 (0.34) KCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL4641374 0.80 GPR3 (0.36) KCNH2GPR3

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