Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7308419

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CCNC(=O)c1ccc(C(=N)N)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.46
ITGA2B P08514 17/20 0.46
FOLH1 Q04609 2/20 0.41
F2 P00734 1/20 0.40
TMPRSS6 Q8IU80 1/20 0.40
ITGB2 P05107 1/20 0.40
ITGAM P11215 1/20 0.40

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.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL9217427 0.95 ITGB3 (0.49) ITGB3ITGA2BFOLH1F2TMPRSS6
SCHEMBL7306316 0.94 ITGB3 (0.51) ITGB3ITGA2BFOLH1
SCHEMBL7305759 0.89 ITGB3 (0.54) ITGB3ITGA2BFOLH1
Trifluoroacetic Acid SCHEMBL3040708 0.85 ITGB3 (0.50) ITGB3ITGA2BF2TMPRSS6
Trifluoroacetic Acid SCHEMBL9222086 0.83 NPY4R (0.48) ITGB3ITGA2BF2TMPRSS6
Trifluoroacetic Acid SCHEMBL7329305 0.82 ITGB3 (0.43) ITGB3ITGA2BF2
SCHEMBL7332658 0.82 ITGB3 (0.52) ITGB3ITGA2BFOLH1
Trifluoroacetic Acid SCHEMBL7327825 0.82 ITGB3 (0.42) ITGB3ITGA2BF2
SCHEMBL7332549 0.81 FOLH1 (0.49) ITGB3ITGA2BFOLH1
Trifluoroacetic Acid SCHEMBL7327815 0.80 ITGB3 (0.43) ITGB3ITGA2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US claimed
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed