Trifluoroacetic Acid

SCHEMBL2467033

CS(=O)(=O)Nc1ccc2c(c1)nc1n2C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	DPP4	P27487	20/20	1.00

▸	DPP7	Q9UHL4	15/20	1.00

▸	DPP9	Q86TI2	7/20	1.00

▸	KCNH2	Q12809	4/20	1.00

▸	DPP8	Q6V1X1	2/20	0.79

▸	CYP2D6	P10635	2/20	0.77

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
SCHEMBL13342409	0.93	DPP4 (0.87)	DPP4DPP7DPP9KCNH2DPP8
SCHEMBL3535584	0.93	DPP4 (0.87)	DPP4DPP7DPP9KCNH2DPP8
SCHEMBL3533164	0.84	DPP4 (0.72)	DPP4DPP7DPP9KCNH2DPP8
SCHEMBL2472452	0.82	DPP4 (0.70)	DPP4DPP7DPP9KCNH2DPP8
Trifluoroacetic Acid SCHEMBL3537790	0.82	DPP4 (1.00)	DPP4DPP7DPP9KCNH2DPP8
SCHEMBL8259100	0.79	DPP4 (1.00)	DPP4DPP7DPP9KCNH2DPP8
Trifluoroacetic Acid SCHEMBL2414200	0.79	DPP4 (0.73)	DPP4DPP7DPP9KCNH2DPP8
Trifluoroacetic Acid SCHEMBL3536531	0.79	DPP4 (0.87)	DPP4DPP7DPP9KCNH2DPP8
Trifluoroacetic Acid SCHEMBL3532252	0.79	DPP4 (0.81)	DPP4DPP7DPP9KCNH2DPP8
Trifluoroacetic Acid SCHEMBL16162026	0.76	DPP4 (0.71)	DPP4DPP7DPP9KCNH2DPP8

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
EP-1819674-B1	FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES	MERCK SHARP & DOHME (US)	2011-10-05	—	—	EP	disclosed