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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7495244

O=C(NCC(NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(OCCNc2ncccn2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.66

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.66
▸ ITGAV P06756 5/20 0.66
▸ ITGA2B P08514 17/20 0.66

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
SCHEMBL7488462 0.95 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL8460133 0.86 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7486656 0.86 ITGB3 (0.58) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL8459486 0.85 ITGB3 (0.89) ITGB3ITGAVITGA2B
SCHEMBL7490874 0.82 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL7037924 0.82 ITGB3 (0.55) ITGB3ITGAVITGA2B
Alanine SCHEMBL8684573 0.82 ITGB3 (0.52) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL6504293 0.81 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7490912 0.81 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL7037266 0.80 ITGB3 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 — — EP disclosed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 — — EP disclosed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 — — EP disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 — — WO disclosed