Trifluoroacetic Acid

SCHEMBL8040173

N=C(N)c1cc(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)cs1.O=C(O)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	20/20	0.68

▸	F2	P00734	10/20	0.68

▸	PLG	P00747	6/20	0.68

▸	PROC	P04070	7/20	0.65

▸	PRSS1	P07477	6/20	0.65

▸	PLAT	P00750	6/20	0.64

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 SCHEMBL8040172	1.00	F10 (0.68)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL7479530	0.90	F10 (0.64)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL7480117	0.88	F10 (0.89)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL7480111	0.88	F10 (0.89)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL8039972	0.86	F10 (0.55)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL8039973	0.86	F10 (0.55)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL7477888	0.85	F10 (0.89)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL7477898	0.85	F10 (0.89)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL8046765	0.85	F10 (0.53)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL8046768	0.85	F10 (0.53)	F10F2PLGPROCPRSS1

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-6034093-A	Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds	RHONE-POULENC RORER PHARMACEUTICALS INC. (US)	2000-03-07	—	—	US	disclosed