⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1838694 | 0.89 | ALDH1A1 (0.40) | — | |
| SCHEMBL28335632 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL1835532 | 0.85 | EPHX2 (0.42) | — | |
| SCHEMBL1838299 | 0.84 | NAAA (0.42) | — | |
| SCHEMBL1835393 | 0.84 | NAAA (0.42) | — | |
| SCHEMBL18092158 | 0.84 | NAAA (0.42) | — | |
| SCHEMBL1838391 | 0.84 | NAAA (0.42) | — | |
| SCHEMBL28177805 | 0.82 | NAAA (0.41) | — | |
| SCHEMBL5121676 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL1837078 | 0.80 | ADH1A (0.40) | — |
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-1093367-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | disclosed |
| EP-1093367-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-25 | — | — | EP | disclosed |
| WO-1999066925-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-29 | — | — | WO | disclosed |