⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6681852 | 0.85 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL4587444 | 0.76 | — | — | |
| SCHEMBL4587475 | 0.74 | — | — | |
| SCHEMBL4585951 | 0.72 | — | — | |
| SCHEMBL10701009 | 0.69 | — | — | |
| SCHEMBL4586133 | 0.68 | — | — | |
| SCHEMBL15557031 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL4586407 | 0.64 | — | — | |
| SCHEMBL4586136 | 0.63 | — | — | |
| SCHEMBL31511305 | 0.61 | — | — |
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 2 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 |