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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4641835

Cc1cc(C)c([S+](c2ccc(Sc3ccc([I+]c4ccc(Sc5ccc([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 0.31

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.31
▸ MMP1 P03956 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ ADAM17 P78536 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
SCHEMBL4644584 0.89 — —
Trifluoromethanesulfonic Acid SCHEMBL4644226 0.89 KCNH2 (0.35) GPR3
Trifluoromethanesulfonic Acid SCHEMBL4643958 0.86 MLYCD (0.37) GPR3
Trifluoromethanesulfonic Acid SCHEMBL6023776 0.86 GPR3 (0.34) GPR3
Trifluoromethanesulfonic Acid SCHEMBL4646584 0.86 FFAR4 (0.36) GPR3
Trifluoromethanesulfonic Acid SCHEMBL4643180 0.86 KCNH2 (0.38) GPR3
SCHEMBL4641419 0.85 MMP1 (0.31) MMP1MMP9MMP13ADAM17
Trifluoromethanesulfonic Acid SCHEMBL4643615 0.84 MMP1 (0.36) GPR3MMP1MMP9MMP13ADAM17
Perchlorate SCHEMBL4646721 0.83 — —
Trifluoromethanesulfonic Acid SCHEMBL4643962 0.81 GPR3 (0.31) GPR3

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