⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25185561 | 0.85 | ALDH1A1 (0.38) | — | |
| SCHEMBL25185271 | 0.85 | ALDH1A1 (0.36) | — | |
| SCHEMBL6967601 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL7161711 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL25185231 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL25186138 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL25182469 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL25178867 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL19293243 | 0.80 | ALDH1A1 (0.46) | — | |
| SCHEMBL19895436 | 0.78 | FAAH (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023085299-A1 | CATIONIC LIPID | 武田薬品工業株式会社 | 2023-05-19 | — | — | WO | disclosed |
| EP-0570594-B1 | HYDROXAMIC ACID DERIVATIVE BASED ON AROMATIC SULFONAMIDE | SHIONOGI & CO (JP) | 1997-07-30 | — | — | EP | disclosed |
| US-5534654-A | ANTITUMOR, ANTIINFLAMMATORY, INHIBITOR OF LYMPHOCYTE ADHESIVE FACTORS | SHIONOGI & CO., LTD. (JP) | 1996-07-09 | — | — | US | disclosed |
| EP-0570594-A1 | HYDROXAMIC ACID DERIVATIVE BASED ON AROMATIC SULFONAMIDE | SHIONOGI & CO., LTD. (JP) | 1993-11-24 | — | — | EP | disclosed |