Trifluoroacetic Acid

SCHEMBL3900547

N=C(N)c1ccc(C(=O)N[C@@H](COc2cccc(C(=N)N)c2)Cc2ccc(I)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	10/20	0.65

▸	F7	P08709	2/20	0.43

▸	F3	P13726	2/20	0.43

▸	F2	P00734	8/20	0.43

▸	TMPRSS6	Q8IU80	5/20	0.43

▸	PRSS1	P07477	1/20	0.41

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
SCHEMBL14131796	0.94	F10 (0.69)	F10F2PRSS1
Trifluoroacetic Acid SCHEMBL3899998	0.93	F10 (0.67)	F10F7F3F2TMPRSS6
Trifluoroacetic Acid SCHEMBL3904269	0.93	F10 (0.70)	F10F7F3F2TMPRSS6
Trifluoroacetic Acid SCHEMBL3904312	0.93	F10 (0.70)	F10F7F3F2TMPRSS6
Trifluoroacetic Acid SCHEMBL3909268	0.92	F10 (0.66)	F10F7F3F2TMPRSS6
Trifluoroacetic Acid SCHEMBL3899258	0.90	F10 (0.64)	F10F7F3F2TMPRSS6
SCHEMBL14132245	0.88	F10 (0.77)	F10F2PRSS1
SCHEMBL14131821	0.88	F10 (0.77)	F10F2PRSS1
Trifluoroacetic Acid SCHEMBL3897204	0.86	F10 (0.88)	F10F7F3F2PRSS1
Trifluoroacetic Acid SCHEMBL3902118	0.86	F10 (0.88)	F10F7F3F2PRSS1

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 3 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
EP-0976722-A1	BENZAMIDINE DERIVATIVES	Ajinomoto Co., Inc. (JP)	2000-02-02	—	—	EP	disclosed