Trifluoroacetic Acid

SCHEMBL6528038

CC(=O)NC[C@H]1CN(c2ccc(N3CCNC(C)C3)c(F)c2)C(=O)O1.O=C(O)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	MAOA	P21397	6/20	0.67

▸	MAOB	P27338	4/20	0.67

▸	PTGS1	P23219	2/20	0.67

▸	SDHA	P31040	2/20	0.67

▸	LMNA	P02545	1/20	0.67

▸	CALML3	P27482	1/20	0.67

▸	F10	P00742	9/20	0.57

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
SCHEMBL6509811	0.95	MAOA (0.73)	MAOAMAOBPTGS1SDHALMNA
Trifluoroacetic Acid SCHEMBL6509850	0.91	MAOB (0.73)	MAOAMAOBPTGS1SDHALMNA
Trifluoroacetic Acid SCHEMBL5727900	0.91	MAOB (0.73)	MAOAMAOBPTGS1SDHALMNA
Trifluoroacetic Acid SCHEMBL5943313	0.91	MAOB (0.73)	MAOAMAOBPTGS1SDHALMNA
SCHEMBL10151522	0.85	MAOA (0.80)	MAOAMAOBPTGS1SDHALMNA
SCHEMBL1894257	0.85	MAOA (0.80)	MAOAMAOBPTGS1SDHALMNA
SCHEMBL1498511	0.85	MAOA (0.80)	MAOAMAOBPTGS1SDHALMNA
Hydrochloric Acid SCHEMBL4689047	0.84	MAOA (0.79)	MAOAMAOBPTGS1SDHALMNA
Hydrochloric Acid SCHEMBL4689051	0.84	MAOA (0.79)	MAOAMAOBPTGS1SDHALMNA
Trifluoroacetic Acid SCHEMBL6530082	0.84	MAOA (0.70)	MAOAMAOBPTGS1SDHALMNA

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-2005082899-A1	OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS	RANBAXY LABORATORIES LIMITED (IN)	2005-09-09	—	—	WO	disclosed