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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8538781

N=C(N)c1ccc(-n2ccn(CC(=O)NC(CC(=O)O)c3ccoc3)c2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.40
▸ ITGA2B P08514 20/20 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
SCHEMBL8538639 0.95 ITGB3 (0.43) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8539907 0.90 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL8543639 0.83 ITGB3 (0.57) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7401536 0.83 ITGB3 (0.49) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7403550 0.80 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8538850 0.78 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL8538055 0.77 ITGB3 (0.54) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7400268 0.76 ITGB3 (0.47) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8538673 0.76 ITGB3 (0.58) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7398703 0.75 ITGB3 (0.39) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 — — EP claimed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 — — EP claimed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 — — US claimed
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 — — EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 — — US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 — — US disclosed