⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8651811 | 0.68 | TSHR (0.39) | — | |
| SCHEMBL4585951 | 0.67 | — | — | |
| SCHEMBL3818414 | 0.67 | — | — | |
| SCHEMBL7629228 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL4586136 | 0.64 | — | — | |
| SCHEMBL8596691 | 0.62 | — | — | |
| SCHEMBL4585954 | 0.62 | — | — | |
| SCHEMBL2168737 | 0.61 | TSHR (0.35) | — | |
| SCHEMBL20536810 | 0.61 | — | — | |
| SCHEMBL6911339 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0927183-B1 | SPIROCYCLIC METALLOPROTEASE INHIBITORS | PROCTER & GAMBLE (US) | 2004-07-28 | — | — | EP | disclosed |
| US-6015912-A | TREATING ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS, SKIN DISORDERS, OCULAR DISORDERS, INFLAMMATION, GUM DISEASE | THE PROCTER & GAMBLE COMPANY (US) | 2000-01-18 | — | — | US | disclosed |
| EP-0927183-A1 | SPIROCYCLIC METALLOPROTEASE INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 1999-07-07 | — | — | EP | disclosed |
| WO-1998008850-A1 | SPIROCYCLIC METALLOPROTEASE INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |