Trifluoroacetic Acid

SCHEMBL3907403

N=C(N)c1ccc(CC(=O)C(=O)O)c(OC[C@@H](CC(=O)O)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	10/20	0.61

▸	F2	P00734	5/20	0.51

▸	ALDH1A1	P00352	5/20	0.41

▸	KMT2A	Q03164	2/20	0.41

▸	MEN1	O00255	1/20	0.41

▸	PRSS1	P07477	2/20	0.39

▸	ITGB3	P05106	1/20	0.39

▸	ITGA2B	P08514	1/20	0.39

▸	MAPT	P10636	1/20	0.37

▸	RECQL	P46063	1/20	0.37

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
SCHEMBL3898000	0.95	F10 (0.65)	F10F2ALDH1A1KMT2AMEN1
SCHEMBL3907410	0.91	F10 (0.55)	F10F2ALDH1A1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL3912329	0.89	F10 (0.65)	F10F2PRSS1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900443	0.88	F10 (0.65)	F10F2PRSS1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3968945	0.87	F10 (0.63)	F10F2PRSS1ITGB3ITGA2B
SCHEMBL3895264	0.84	F10 (0.70)	F10F2PRSS1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3901682	0.83	F10 (0.61)	F10F2PRSS1ITGB3ITGA2B
SCHEMBL3894701	0.83	F10 (0.71)	F10F2PRSS1ITGB3ITGA2B
SCHEMBL3897939	0.81	F10 (0.69)	F10F2PRSS1ITGB3ITGA2B
SCHEMBL3912337	0.79	F10 (0.63)	F10F2PRSS1ITGB3ITGA2B

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0976722-B1	BENZAMIDINE DERIVATIVES	AJINOMOTO KK (JP)	2009-03-11	—	—	EP	disclosed
US-7396844-B1	Benzamidine derivatives	AJINOMOTO CO., INC. (JP)	2008-07-08	—	—	US	disclosed