Sugi Predict

Sugi Predict / Compounds / Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4647342

Cc1ccc([S+](c2ccc(-c3ccc([I+]c4ccc(-c5ccc([S+](c6ccc(C)cc6C)c6ccc(C)cc6C)cc5)cc4)cc3)cc2)c2ccc(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 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ EPHX2 P34913 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 SCHEMBL4641286 0.90 KCNH2 (0.39) GPR3KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4646928 0.90 HTT (0.34) GPR3KCNH2EPHX2
Trifluoromethanesulfonic Acid SCHEMBL6023776 0.90 GPR3 (0.34) GPR3
SCHEMBL4647321 0.89 — —
Trifluoromethanesulfonic Acid SCHEMBL4643916 0.86 KCNH2 (0.44) GPR3KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4644226 0.85 KCNH2 (0.35) GPR3KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4643922 0.85 KCNH2 (0.37) GPR3KCNH2
SCHEMBL4647074 0.85 — —
Perchlorate SCHEMBL4641542 0.83 NPC1 (0.31) —
Trifluoromethanesulfonic Acid SCHEMBL4647348 0.81 KCNH2 (0.36) 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