Trifluoroacetic Acid

SCHEMBL9756339

CC[C@H](CCCCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	3/20	0.40

▸	ITGB1	P05556	1/20	0.39

▸	ITGA4	P13612	1/20	0.39

▸	ENPEP	Q07075	13/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.36

▸	RRM1	P23921	1/20	0.35

▸	RRM2	P31350	1/20	0.35

▸	RRM2B	Q7LG56	1/20	0.35

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 SCHEMBL9614815	0.85	NPY4R (0.49)	NPY4RITGB1ITGA4
Trifluoroacetic Acid SCHEMBL7437664	0.85	NPY4R (0.44)	NPY4RITGB1ITGA4ENPEP
Trifluoroacetic Acid SCHEMBL9614806	0.85	NPY4R (0.49)	NPY4RITGB1ITGA4
Trifluoroacetic Acid SCHEMBL9614791	0.85	NPY4R (0.49)	NPY4RITGB1ITGA4
Trifluoroacetic Acid SCHEMBL9614799	0.84	ITGB1 (0.38)	NPY4RITGB1ITGA4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL9614803	0.84	NPY4R (0.48)	NPY4RITGB1ITGA4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL9614812	0.81	ITGB1 (0.37)	NPY4RITGB1ITGA4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL9614798	0.79	EPHX2 (0.41)	NPY4RITGB1ITGA4SMN1; SMN2
SCHEMBL7442006	0.78	EPHX2 (0.46)	NPY4RSMN1; SMN2
SCHEMBL7442799	0.78	EPHX2 (0.46)	NPY4RSMN1; SMN2

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
WO-1991004746-A1	ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES	RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US)	1991-04-18	—	—	WO	claimed