Trifluoroacetic Acid

SCHEMBL8527977

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(CNC(=O)NCC(=O)O)cc1)C(=O)C(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	20/20	0.43

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
SCHEMBL8526447	0.95	TPSAB1 (0.37)	NPY1R
Trifluoroacetic Acid SCHEMBL7038182	0.92	NPY1R (0.43)	NPY1R
Trifluoroacetic Acid SCHEMBL7044926	0.91	NPY1R (0.42)	NPY1R
Trifluoroacetic Acid SCHEMBL4699162	0.91	PPID (0.45)	NPY1R
Trifluoroacetic Acid SCHEMBL649619	0.91	NPY1R (0.43)	NPY1R
Trifluoroacetic Acid SCHEMBL7045238	0.91	NPY1R (0.43)	NPY1R
Trifluoroacetic Acid SCHEMBL8528581	0.89	NPY1R (0.39)	NPY1R
Trifluoroacetic Acid SCHEMBL7043313	0.89	NPY1R (0.44)	NPY1R
Trifluoroacetic Acid SCHEMBL8526213	0.89	TPSAB1 (0.45)	NPY1R
Trifluoroacetic Acid SCHEMBL8525691	0.88	NPY1R (0.39)	NPY1R

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-0885186-A1	AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM	Dr. Karl Thomae GmbH (DE)	1998-12-23	—	—	EP	disclosed
WO-1997019911-A1	AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM	DR. KARL THOMAE GMBH (DE)	1997-06-05	—	—	WO	disclosed