⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4770226 | 0.84 | — | — | |
| SCHEMBL4767091 | 0.82 | RPLP1 (0.33) | — | |
| SCHEMBL6590690 | 0.80 | CXCR4 (0.32) | — | |
| SCHEMBL6592789 | 0.79 | SLC6A2 (0.31) | — | |
| SCHEMBL4763252 | 0.79 | — | — | |
| SCHEMBL6587495 | 0.72 | TRPM8 (0.35) | — | |
| SCHEMBL4767101 | 0.72 | CTSD (0.37) | — | |
| SCHEMBL4763307 | 0.70 | PSEN1 (0.32) | — | |
| SCHEMBL4768444 | 0.70 | — | — | |
| SCHEMBL6593956 | 0.70 | SLC6A2 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1307204-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2004-06-02 | — | — | EP | disclosed |
| EP-1307204-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2003-05-07 | — | — | EP | disclosed |
| WO-2001095911-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-12-20 | — | — | WO | disclosed |