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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4643720

O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccc(-c3ccc([I+]c4ccc(-c5ccc([S+](c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.38

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 2/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ KCNH2 Q12809 8/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KIF11 P52732 3/20 0.32
▸ PKM P14618 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 SCHEMBL4643787 0.89 PTPN1 (0.46) GPR3PTPN1KCNH2CA12CA1
Trifluoromethanesulfonic Acid SCHEMBL4641374 0.87 GPR3 (0.36) GPR3PTPN1KCNH2CA12CA1
Trifluoromethanesulfonic Acid SCHEMBL4643549 0.87 SOS1 (0.37) GPR3PTPN1CA1CA2CA9
Trifluoromethanesulfonic Acid SCHEMBL4641948 0.87 GPR3 (0.36) GPR3PTPN1
Trifluoromethanesulfonic Acid SCHEMBL4643916 0.87 KCNH2 (0.44) GPR3KCNH2CA1CA2CA9
SCHEMBL4643440 0.86 PTPN1 (0.33) PTPN1CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL4641439 0.86 GPR3 (0.35) GPR3
Trifluoromethanesulfonic Acid SCHEMBL4643970 0.86 GPR3 (0.35) GPR3KCNH2CA12CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL6022880 0.86 SOS1 (0.36) GPR3PTPN1CA1CA2CA9
Trifluoromethanesulfonic Acid SCHEMBL6118365 0.85 GPR3 (0.48) GPR3PTPN1KCNH2CA1CA2

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