⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL11656353 | 0.81 | — | — | |
| Formamide SCHEMBL19512333 | 0.81 | — | — | |
| SCHEMBL24253 | 0.79 | — | — | |
| SCHEMBL5895150 | 0.79 | — | — | |
| SCHEMBL5895141 | 0.79 | — | — | |
| SCHEMBL517518 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL10038449 | 0.79 | — | — | |
| SCHEMBL7195167 | 0.79 | — | — | |
| Trimethylammonium SCHEMBL27755936 | 0.79 | TSHR (0.35) | — | |
| Methylglyoxal SCHEMBL29054122 | 0.78 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012034954-A1 | SUBSTITUTED HEXAHYDROPYRROLO [1, 2 - C] IMIDAZOLONES USEFUL AS MDM2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-22 | — | — | WO | disclosed |
| US-20120065210-A1 | SUBSTITUTED HEXAHYDROPYRROLO[1,2-C]IMIDAZOLONES | CHU XIN-JIE (US) | 2012-03-15 | — | — | US | disclosed |