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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4646928

Cc1ccc([S+](c2ccc(Oc3ccc([I+]c4ccc(Oc5ccc([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 0.34

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EPAS1 Q99814 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ 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
SCHEMBL4644752 0.90 FFAR4 (0.31) HTTFFAR4TDP1L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL4647342 0.90 GPR3 (0.36) GPR3KCNH2EPHX2
Trifluoromethanesulfonic Acid SCHEMBL4643748 0.87 HTT (0.40) HTTTDP1L3MBTL1GPR3KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4641286 0.86 KCNH2 (0.39) GPR3KCNH2
Trifluoromethanesulfonic Acid SCHEMBL6023776 0.86 GPR3 (0.34) GPR3
Trifluoromethanesulfonic Acid SCHEMBL4643751 0.86 HTT (0.33) HTTGPR3KCNH2SMN1; SMN2PTPN1
Trifluoromethanesulfonic Acid SCHEMBL4646584 0.86 FFAR4 (0.36) HTTFFAR4TDP1L3MBTL1GPR3
SCHEMBL4643826 0.86 HTT (0.33) HTTTDP1L3MBTL1SMN1; SMN2
Perchlorate SCHEMBL4644212 0.84 HTT (0.31) HTTTDP1L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL4645187 0.84 HTT (0.35) HTTGPR3KCNH2SMN1; SMN2PTPN1

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