Trifluoroacetic Acid

SCHEMBL8701650

N[C@@H]1C(=O)N2C(C(=O)[O-])=C(/C=C3\CCN(Cc4cc[n+](CCO)cc4)C3=O)CS[C@H]12.O=C(O)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	HDAC1	Q13547	1/20	0.31

▸	KDM4E	B2RXH2	1/20	0.30

▸	TSHR	P16473	1/20	0.30

▸	HSD17B10	Q99714	1/20	0.30

▸	TDP1	Q9NUW8	1/20	0.30

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 SCHEMBL8701660	1.00	HDAC1 (0.31)	HDAC1KDM4ETSHRHSD17B10TDP1
Trifluoroacetic Acid SCHEMBL8701473	0.93	HDAC1 (0.32)	HDAC1HSD17B10TDP1
Trifluoroacetic Acid SCHEMBL8701492	0.93	HDAC1 (0.32)	HDAC1HSD17B10TDP1
Trifluoroacetic Acid SCHEMBL8701654	0.93	TDP1 (0.34)	HDAC1KDM4ETSHRHSD17B10TDP1
Trifluoroacetic Acid SCHEMBL8707449	0.92	HDAC1 (0.33)	HDAC1KDM4ETSHRHSD17B10TDP1
Trifluoroacetic Acid SCHEMBL8707455	0.92	HDAC1 (0.33)	HDAC1KDM4ETSHRHSD17B10TDP1
Trifluoroacetic Acid SCHEMBL8706371	0.91	HDAC1 (0.31)	HDAC1
Trifluoroacetic Acid SCHEMBL8706401	0.91	HDAC1 (0.31)	HDAC1
Trifluoroacetic Acid SCHEMBL8707536	0.90	HDAC1 (0.33)	HDAC1KDM4EHSD17B10TDP1
Trifluoroacetic Acid SCHEMBL8707530	0.90	HDAC1 (0.33)	HDAC1KDM4EHSD17B10TDP1

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-0838465-A1	Pyridinium-substituted (lactamylvinyl)cephalosporin derivatives, their preparation and their use as antibiotics	F. HOFFMANN-LA ROCHE AG (CH)	1998-04-29	—	—	EP	disclosed