⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7537563 | 0.72 | — | — | |
| SCHEMBL14688552 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL3992917 | 0.67 | — | — | |
| SCHEMBL5457681 | 0.61 | TSHR (0.39) | — | |
| SCHEMBL92168 | 0.61 | — | — | |
| SCHEMBL2589141 | 0.61 | — | — | |
| SCHEMBL369996 | 0.61 | — | — | |
| SCHEMBL17763364 | 0.58 | — | — | |
| SCHEMBL16168511 | 0.58 | — | — | |
| SCHEMBL7861061 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1196436-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001002424-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-01-11 | — | — | WO | disclosed |