⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL337396 | 0.81 | ALDH1A1 (1.00) | — | |
| SCHEMBL337373 | 0.81 | ALDH1A1 (0.85) | — | |
| SCHEMBL337149 | 0.81 | ALDH1A1 (1.00) | — | |
| SCHEMBL7383705 | 0.75 | ALDH1A1 (0.75) | — | |
| SCHEMBL2115680 | 0.75 | ALDH1A1 (0.89) | — | |
| SCHEMBL11329761 | 0.74 | ALDH1A1 (0.72) | — | |
| SCHEMBL25687896 | 0.74 | ALDH1A1 (0.85) | — | |
| SCHEMBL25598757 | 0.74 | ALDH1A1 (0.85) | — | |
| SCHEMBL13165143 | 0.74 | KDM4E (0.66) | — | |
| SCHEMBL2301305 | 0.72 | ALDH1A1 (0.71) | — |
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-2948451-B1 | SUBSTITUTED PURINONE COMPOUNDS | NOVARTIS AG (CH) | 2017-07-12 | — | — | EP | disclosed |
| 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 |