Trifluoromethanesulfonic Acid

SCHEMBL28512185

CC(C)(C)C1Cc2ccccc2C1=O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]

nearest known ligand 0.47

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ACHE	P22303	7/20	0.47

▸	GPR3	P46089	2/20	0.42

▸	METAP1	P53582	4/20	0.38

▸	TSHR	P16473	1/20	0.38

▸	DRD2	P14416	2/20	0.34

▸	CYP19A1	P11511	1/20	0.33

▸	PSEN1	P49768	1/20	0.33

▸	PSEN2	P49810	1/20	0.33

▸	APH1B	Q8WW43	1/20	0.33

▸	NCSTN	Q92542	1/20	0.33

▸	APH1A	Q96BI3	1/20	0.33

▸	PSENEN	Q9NZ42	1/20	0.33

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 SCHEMBL28512188	0.86	ACHE (0.44)	ACHEMETAP1TSHRDRD2CYP19A1
SCHEMBL1855652	0.85	ACHE (0.58)	ACHEMETAP1TSHRCYP19A1
SCHEMBL4221590	0.85	ACHE (0.58)	ACHEMETAP1TSHRCYP19A1
SCHEMBL30022661	0.85	ACHE (0.58)	ACHEMETAP1TSHRCYP19A1
SCHEMBL11523523	0.75	ACHE (0.53)	ACHEMETAP1TSHRCYP19A1
SCHEMBL18048355	0.70	ACHE (0.47)	ACHEMETAP1TSHRCYP19A1
SCHEMBL25001847	0.69	CYP19A1 (0.47)	ACHETSHRDRD2CYP19A1
SCHEMBL13337387	0.69	S100A4 (0.53)	ACHECYP19A1
SCHEMBL6273471	0.68	ACHE (0.49)	ACHEMETAP1TSHRCYP19A1
SCHEMBL28509563	0.67	ACHE (0.46)	ACHEDRD2

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
CN-110204468-B	Asymmetric synthesis method of chiral alpha-thiocyano cyclic ketonic acid ester compound	浙江工业大学	2021-02-02	—	—	CN	disclosed