⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8005419 | 0.75 | DNM1 (0.35) | — | |
| SCHEMBL845040 | 0.72 | — | — | |
| SCHEMBL7375357 | 0.70 | — | — | |
| SCHEMBL9723212 | 0.67 | — | — | |
| SCHEMBL7371435 | 0.66 | — | — | |
| SCHEMBL10575988 | 0.66 | — | — | |
| SCHEMBL7122159 | 0.65 | — | — | |
| SCHEMBL10577991 | 0.64 | — | — | |
| SCHEMBL7438316 | 0.63 | — | — | |
| SCHEMBL10112607 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5250720-A | Intermediates for preparing peptide boronic acid inhibitors of trypsin-like proteases | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-10-05 | — | — | US | disclosed |
| US-5242904-A | Anticoagulant, antiinflammatory | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-09-07 | — | — | US | disclosed |
| EP-0293881-B1 | PEPTIDE BORONIC ACID INHIBITORS OF TRYPSIN-LIKE PROTEASES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-10 | — | — | EP | disclosed |
| US-5187157-A | Anticoagulant, antiinflammatory agents | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-02-16 | — | — | US | disclosed |
| EP-0293881-A2 | Peptide boronic acid inhibitors of trypsin-like proteases | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1988-12-07 | — | — | EP | disclosed |