⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8090222 | 1.00 | — | — | |
| SCHEMBL8090089 | 0.93 | — | — | |
| SCHEMBL7438322 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL7369747 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7371696 | 0.82 | — | — | |
| SCHEMBL7375357 | 0.81 | — | — | |
| SCHEMBL7447943 | 0.77 | — | — | |
| SCHEMBL7438316 | 0.74 | — | — | |
| SCHEMBL845040 | 0.65 | — | — | |
| SCHEMBL7373861 | 0.59 | — | — |
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 |