⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13559905 | 0.61 | — | — | |
| SCHEMBL16860627 | 0.61 | — | — | |
| SCHEMBL13636983 | 0.61 | — | — | |
| SCHEMBL12263871 | 0.61 | — | — | |
| SCHEMBL9596236 | 0.61 | — | — | |
| SCHEMBL5172707 | 0.61 | — | — | |
| SCHEMBL482716 | 0.61 | MAOA (0.60) | — | |
| SCHEMBL20124261 | 0.59 | — | — | |
| SCHEMBL14506376 | 0.59 | ALDH1A1 (0.38) | — | |
| SCHEMBL10841144 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230142629-A1 | BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF | GILEAD SCIENCES, INC. | 2023-05-11 | — | — | US | disclosed |
| EP-2297148-B1 | NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS | SANOFI SA (FR) | 2012-01-04 | — | — | EP | disclosed |