Trifluoroacetic Acid

SCHEMBL3896012

CC(=N)N1CCC(Oc2ccc(C[C@@H](COc3cccc(C(=N)N)c3)NS(=O)(=O)c3ccccc3)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	18/20	0.56

▸	F2	P00734	7/20	0.45

▸	PLG	P00747	1/20	0.45

▸	PLAU	P00749	1/20	0.45

▸	ST14	Q9Y5Y6	1/20	0.45

▸	TMPRSS6	Q8IU80	2/20	0.44

▸	KCNH2	Q12809	1/20	0.44

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 SCHEMBL3909865	0.96	F10 (0.51)	F10F2PLGPLAUST14
SCHEMBL14132093	0.96	F10 (0.56)	F10F2PLGPLAUST14
Trifluoroacetic Acid SCHEMBL3902709	0.95	F10 (0.56)	F10F2PLGPLAUST14
Trifluoroacetic Acid SCHEMBL3909125	0.94	F10 (0.48)	F10F2PLGPLAUST14
Trifluoroacetic Acid SCHEMBL3899879	0.94	F10 (0.55)	F10F2PLGPLAUST14
Trifluoroacetic Acid SCHEMBL3896414	0.94	F10 (0.53)	F10F2PLGPLAUST14
Trifluoroacetic Acid SCHEMBL5099107	0.92	F10 (0.53)	F10F2PLGPLAUST14
Trifluoroacetic Acid SCHEMBL3902628	0.92	F10 (0.51)	F10F2PLGPLAUST14
Trifluoroacetic Acid SCHEMBL5105075	0.92	F10 (0.57)	F10F2PLGKCNH2
SCHEMBL14132072	0.92	F10 (0.57)	F10F2PLGPLAUST14

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