Trifluoromethanesulfonic Acid

SCHEMBL6682674

O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Sc+3].[Sc+3].[Sc+3].[Sc+3].[Sc+3].[Sc+3].[Sc+3].[Sc+3].[Sc+3].[Sc+3].[Sc+3].[Sc+3]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CA1	P00915	2/20	0.44

▸	CA2	P00918	2/20	0.44

▸	CA7	P43166	1/20	0.44

▸	CA13	Q8N1Q1	1/20	0.44

▸	GPR3	P46089	2/20	0.42

▸	ACHE	P22303	2/20	0.33

▸	KCNH2	Q12809	6/20	0.31

▸	MEN1	O00255	1/20	0.31

▸	ALDH1A1	P00352	1/20	0.31

▸	TSHR	P16473	1/20	0.31

▸	KMT2A	Q03164	1/20	0.31

▸	F2	P00734	1/20	0.30

▸	PRSS1	P07477	1/20	0.30

▸	PRSS2	P07478	1/20	0.30

▸	PRSS3	P35030	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.

Compound	similarity	top predicted	shared targets
Trifluoromethanesulfonic Acid SCHEMBL77227	1.00	CA1 (0.44)	CA1CA2CA7CA13GPR3
Trifluoromethanesulfonic Acid SCHEMBL15569459	0.96	CA1 (0.41)	CA1CA2CA7CA13GPR3
Trifluoromethanesulfonic Acid SCHEMBL5590788	0.96	CA1 (0.41)	CA1CA2CA7CA13GPR3
Trifluoromethanesulfonic Acid SCHEMBL6288310	0.96	CA1 (0.41)	CA1CA2CA7CA13GPR3
Trifluoromethanesulfonic Acid SCHEMBL6288324	0.96	CA1 (0.41)	CA1CA2CA7CA13GPR3
Trifluoromethanesulfonic Acid SCHEMBL2566540	0.96	CA1 (0.41)	CA1CA2CA7CA13GPR3
Trifluoromethanesulfonic Acid SCHEMBL31137715	0.93	GPR3 (0.39)	CA1CA2CA7CA13GPR3
Trifluoromethanesulfonic Acid SCHEMBL31216407	0.93	GPR3 (0.39)	CA1CA2CA7CA13GPR3
Trifluoromethanesulfonic Acid SCHEMBL25292546	0.92	GPR3 (0.48)	CA1CA2CA7CA13GPR3
Trifluoromethanesulfonic Acid SCHEMBL25287606	0.92	CA1 (0.44)	CA1CA2CA7CA13GPR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2004050606-A1	PROCESS FOR THE SYNTHESIS OF N-SUBSTITUTED β-AMINO NITRILES THROUGH THE RING OPENING OF AZIRIDINES	COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN)	2004-06-17	—	—	WO	disclosed