Trifluoroacetic Acid

SCHEMBL2328672

COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.89

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	20/20	0.89

▸	F2	P00734	11/20	0.89

▸	PLG	P00747	3/20	0.89

▸	PROC	P04070	3/20	0.89

▸	PRSS1	P07477	2/20	0.89

▸	PLAT	P00750	1/20	0.68

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 SCHEMBL2329113	1.00	F10 (0.89)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2329452	0.95	F10 (0.80)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2326837	0.94	F10 (0.77)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2332907	0.93	F10 (0.89)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2328307	0.93	F10 (0.76)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2330089	0.92	F10 (0.88)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL1188533	0.92	F10 (0.87)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2363805	0.92	F10 (0.77)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2329417	0.91	F10 (0.89)	F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2329357	0.91	F10 (0.88)	F10F2PLGPROCPRSS1

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-0853618-B1	SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS	AVENTIS PHARMA INC (US)	2011-08-17	—	—	EP	disclosed