⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9909858 | 0.80 | — | — | |
| SCHEMBL17533429 | 0.78 | — | — | |
| SCHEMBL17533431 | 0.74 | — | — | |
| SCHEMBL15372975 | 0.71 | — | — | |
| SCHEMBL17533432 | 0.69 | — | — | |
| SCHEMBL13816585 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL11805009 | 0.62 | NOS1 (0.33) | — | |
| SCHEMBL11837321 | 0.62 | — | — | |
| SCHEMBL12653652 | 0.61 | ADH1B (0.30) | — | |
| SCHEMBL13081193 | 0.61 | ADH1B (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016026937-A1 | NEW SPIRO[3H-INDOLE-3,2´-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-02-25 | — | — | WO | disclosed |