Trifluoroacetic Acid

SCHEMBL7934191

CO[C@]1(C=C=O)C(=O)N(CC(=O)O)CCN1C(=O)[C@@H](N)CC(=O)N1CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	DPP8	Q6V1X1	9/20	0.42

▸	DPP7	Q9UHL4	7/20	0.42

▸	DPP4	P27487	4/20	0.42

▸	ITGB3	P05106	8/20	0.37

▸	ITGA2B	P08514	8/20	0.37

▸	CYP2D6	P10635	2/20	0.35

▸	CYP3A4	P08684	1/20	0.35

▸	CYP2C9	P11712	1/20	0.35

▸	TSHR	P16473	1/20	0.35

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
Trifluoroacetic Acid SCHEMBL7924843	1.00	DPP8 (0.42)	DPP8DPP7DPP4ITGB3ITGA2B
SCHEMBL7924777	0.82	ITGB3 (0.37)	ITGB3ITGA2BCYP2D6CYP3A4CYP2C9
SCHEMBL7937532	0.81	ITGB3 (0.34)	ITGB3ITGA2BCYP2D6CYP3A4CYP2C9
SCHEMBL7937548	0.81	ITGB3 (0.34)	ITGB3ITGA2BCYP2D6CYP3A4CYP2C9
SCHEMBL7402557	0.81	ALDH1A1 (0.36)	ITGB3ITGA2BCYP2D6CYP3A4
Trifluoroacetic Acid SCHEMBL7924834	0.74	DPP8 (0.47)	DPP8DPP7DPP4ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7365694	0.74	DPP8 (0.47)	DPP8DPP7DPP4ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7364289	0.74	DPP8 (0.47)	DPP8DPP7DPP4ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7368003	0.69	ITGB3 (0.41)	ITGB3ITGA2B
SCHEMBL7372151	0.68	DPP4 (0.40)	DPP8DPP7DPP4ITGB3ITGA2B

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
US-6242600-B1	ANTIISCHEMIC AGENTS, ANTICOAGULANTS	TAKEDA CHEMICAL INDUSTRIES, LTD. (JP)	2001-06-05	—	—	US	disclosed