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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8466321

CN1Cc2cc(C(=O)O)ccc2N[C@@H](CC(=O)O)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.63

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.63
▸ ITGAV P06756 17/20 0.63
▸ ITGA2B P08514 13/20 0.61

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
SCHEMBL6677340 0.93 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL6677335 0.93 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL5972553 0.93 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL6652716 0.85 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL6652714 0.85 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL7796007 0.84 ITGB3 (0.66) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL6676418 0.84 ITGB3 (0.57) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7788880 0.84 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL4024554 0.83 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL8184829 0.83 ITGB3 (0.50) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 — — EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 — — EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 — — WO disclosed