⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8769440 | 0.78 | — | — | |
| SCHEMBL3498529 | 0.76 | — | — | |
| SCHEMBL28462648 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL8564227 | 0.73 | — | — | |
| SCHEMBL138123 | 0.73 | — | — | |
| SCHEMBL138124 | 0.73 | — | — | |
| SCHEMBL8769482 | 0.72 | — | — | |
| SCHEMBL8766753 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL6876059 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL6876061 | 0.71 | TSHR (0.44) | — |
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-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 |