Trifluoroacetic Acid

SCHEMBL2330604

N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccn4)s3)C2=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.89

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	20/20	0.89

▸	F2	P00734	3/20	0.72

▸	PRSS1	P07477	2/20	0.67

▸	PLAT	P00750	1/20	0.67

▸	PROC	P04070	1/20	0.67

▸	PLG	P00747	1/20	0.61

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 SCHEMBL7425552	0.91	F10 (0.88)	F10F2PRSS1PLATPROC
Trifluoroacetic Acid SCHEMBL7425560	0.91	F10 (0.88)	F10F2PRSS1PLATPROC
Trifluoroacetic Acid SCHEMBL7423756	0.90	F10 (0.74)	F10F2PRSS1PLATPROC
Trifluoroacetic Acid SCHEMBL7477803	0.89	F10 (0.90)	F10F2PRSS1PLATPROC
Trifluoroacetic Acid SCHEMBL7477812	0.89	F10 (0.90)	F10F2PRSS1PLATPROC
Trifluoroacetic Acid SCHEMBL7475874	0.89	F10 (0.89)	F10F2PRSS1PLATPROC
Trifluoroacetic Acid SCHEMBL7475878	0.89	F10 (0.89)	F10F2PRSS1PLATPROC
Trifluoroacetic Acid SCHEMBL7482579	0.89	F10 (0.90)	F10F2PRSS1PLATPROC
Trifluoroacetic Acid SCHEMBL7482585	0.89	F10 (0.90)	F10F2PRSS1PLATPROC
Trifluoroacetic Acid SCHEMBL7481313	0.88	F10 (0.73)	F10F2PRSS1PLATPROC

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
EP-0853618-B1	SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS	AVENTIS PHARMA INC (US)	2011-08-17	—	—	EP	disclosed