Trifluoroacetic Acid

SCHEMBL7982837

Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc3c(CCCNc4ccccn4)nn(Cc4ccccc4)c3c2)C(=O)O)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	17/20	0.61

▸	ITGAV	P06756	17/20	0.61

▸	ITGA2B	P08514	13/20	0.61

▸	ITGB1	P05556	5/20	0.46

▸	ITGA5	P08648	5/20	0.46

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 SCHEMBL7982829	1.00	ITGB3 (0.61)	ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7982841	0.92	ITGB3 (0.54)	ITGB3ITGAVITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7979082	0.91	ITGAV (0.64)	ITGB3ITGAVITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7979079	0.91	ITGAV (0.64)	ITGB3ITGAVITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7979252	0.87	ITGB3 (0.67)	ITGB3ITGAVITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7979255	0.87	ITGB3 (0.67)	ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7979100	0.87	ITGAV (0.68)	ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7982200	0.83	ITGAV (0.61)	ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7979084	0.82	ITGAV (0.55)	ITGB3ITGAVITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7980731	0.82	ITGAV (0.70)	ITGB3ITGAVITGA2B

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-6214834-B1	ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS	DUPONT PHARMACEUTICALS COMPANY	2001-04-10	—	—	US	disclosed