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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7438889

Cc1noc(C)c1S(=O)(=O)OC(=O)C(CN)NC(=O)C[C@H]1C[C@@H](c2ccc(C(=N)N)cc2)NO1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.41
▸ ITGA2B P08514 20/20 0.41

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 SCHEMBL9093113 1.00 ITGB3 (0.41) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7790802 0.88 ITGB3 (0.45) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL9095818 0.88 ITGB3 (0.45) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7790851 0.88 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL9093436 0.83 ITGB3 (0.47) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9093882 0.82 ITGB3 (0.47) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7793879 0.81 ITGB3 (0.64) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7445635 0.79 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7790950 0.77 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7790872 0.77 ITGB3 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832077-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 — — EP disclosed
WO-1996037482-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 — — WO disclosed
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