Trifluoroacetic Acid

SCHEMBL10444125

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)Nc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.43

▸	THRB	P10828	1/20	0.43

▸	CYP2C9	P11712	1/20	0.43

▸	CYP2C19	P33261	1/20	0.43

▸	HSD17B10	Q99714	1/20	0.43

▸	TSHR	P16473	1/20	0.39

▸	BIRC2	Q13490	1/20	0.38

▸	TDP1	Q9NUW8	1/20	0.37

▸	NOS3	P29474	1/20	0.37

▸	NOS1	P29475	1/20	0.37

▸	NOS2	P35228	1/20	0.37

▸	ATM	Q13315	1/20	0.36

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 SCHEMBL10444230	1.00	ALDH1A1 (0.43)	ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10506297	0.85	ACE (0.40)	—
SCHEMBL10687094	0.85	ACE (0.40)	—
SCHEMBL10687059	0.85	ACE (0.40)	—
Trifluoroacetic Acid SCHEMBL11579810	0.83	ALDH1A1 (0.60)	ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9875934	0.80	ALDH1A1 (0.53)	ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9875926	0.80	ALDH1A1 (0.53)	ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7676473	0.80	MAPT (0.38)	ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7674291	0.80	MAPT (0.38)	ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7674297	0.80	MAPT (0.38)	ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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-0350163-A2	Renin inhibitory peptides	BEECHAM GROUP PLC (GB)	1990-01-10	—	—	EP	disclosed