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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9029015

N=C(N)c1ccc(N2CC[C@@H](NC(=O)NCCCC(=O)O)C2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.64

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.64
▸ ITGA2B P08514 18/20 0.64
▸ FPR1 P21462 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 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 SCHEMBL7411796 0.94 ITGB3 (0.68) ITGB3ITGA2BFPR1FPR2F7
Trifluoroacetic Acid SCHEMBL7448806 0.94 ITGB3 (0.68) ITGB3ITGA2BFPR1FPR2F7
Acetic Acid SCHEMBL9095776 0.92 ITGB3 (0.69) ITGB3ITGA2BFPR1FPR2
SCHEMBL7413110 0.89 ITGB3 (0.75) ITGB3ITGA2BFPR1FPR2
SCHEMBL7075515 0.89 ITGB3 (0.75) ITGB3ITGA2BFPR1FPR2
SCHEMBL9029031 0.87 ITGB3 (0.66) ITGB3ITGA2BFPR1FPR2
Acetic Acid SCHEMBL7418342 0.86 ITGB3 (0.75) ITGB3ITGA2BFPR1FPR2
Orbofiban SCHEMBL7411884 0.85 ITGB3 (0.88) ITGB3ITGA2BFPR1FPR2
Trifluoroacetic Acid SCHEMBL7444884 0.83 ITGB3 (0.73) ITGB3ITGA2BFPR1FPR2
SCHEMBL7411805 0.83 ITGB3 (0.73) ITGB3ITGA2BFPR1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 — — EP claimed