⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2481052 | 0.86 | — | — | |
| SCHEMBL31178341 | 0.83 | — | — | |
| SCHEMBL3155898 | 0.71 | — | — | |
| SCHEMBL25529669 | 0.68 | — | — | |
| SCHEMBL27937582 | 0.66 | — | — | |
| SCHEMBL28943180 | 0.66 | — | — | |
| SCHEMBL29581360 | 0.65 | — | — | |
| SCHEMBL3786355 | 0.63 | — | — | |
| SCHEMBL30412831 | 0.63 | — | — | |
| SCHEMBL14472472 | 0.59 | — | — |
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-2158205-A1 | 3,3-SPIROINDOLINONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-03-03 | — | — | EP | claimed |
| WO-2008141917-A1 | 3,3-SPIROINDOLINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-11-27 | — | — | WO | claimed |
| EP-2158205-A1 | 3,3-SPIROINDOLINONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-03-03 | — | — | EP | disclosed |
| WO-2008141917-A1 | 3,3-SPIROINDOLINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-11-27 | — | — | WO | disclosed |