Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7308865

N=C(N)c1ccc(NC(=O)CCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.60

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.60
ITGA2B P08514 15/20 0.60
F2 P00734 2/20 0.47
PTPN1 P18031 1/20 0.46

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
SCHEMBL7304352 0.95 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7321771 0.92 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7307665 0.87 ITGB3 (0.60) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3040708 0.85 ITGB3 (0.50) ITGB3ITGA2BF2PTPN1
SCHEMBL9098464 0.84 ITGB3 (0.67) ITGB3ITGA2BPTPN1
SCHEMBL13744829 0.84 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7438806 0.83 ITGB3 (0.71) ITGB3ITGA2BPTPN1
SCHEMBL13716640 0.83 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL9103107 0.83 ITGB3 (0.70) ITGB3ITGA2BPTPN1
Hydrochloric Acid SCHEMBL9435247 0.83 ITGB3 (0.70) ITGB3ITGA2BPTPN1

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