⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19568976 | 0.68 | — | — | |
| SCHEMBL6278068 | 0.62 | — | — | |
| SCHEMBL13782775 | 0.61 | — | — | |
| SCHEMBL16423308 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL12334109 | 0.57 | — | — | |
| SCHEMBL9887223 | 0.55 | — | — | |
| SCHEMBL19500711 | 0.55 | — | — | |
| SCHEMBL2500976 | 0.53 | — | — | |
| SCHEMBL816417 | 0.51 | ALDH1A1 (0.31) | — | |
| SCHEMBL6056896 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0059146-A1 | Medicaments derived from 3-hydroxy dodecahydro benz(e) inden-7-on, products derived from 3-hydroxy dodecahydro benz(e) inden-7-on and process for their preparation | ROUSSEL-UCLAF (FR) | 1982-09-01 | — | — | EP | disclosed |