⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8915277 | 0.79 | — | — | |
| Isopropyl Alcohol SCHEMBL28132679 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL16640738 | 0.74 | — | — | |
| SCHEMBL11142356 | 0.74 | — | — | |
| SCHEMBL16326321 | 0.73 | — | — | |
| SCHEMBL16326322 | 0.73 | — | — | |
| SCHEMBL9347624 | 0.73 | — | — | |
| SCHEMBL6436096 | 0.73 | — | — | |
| SCHEMBL29163215 | 0.71 | MEN1 (0.30) | — | |
| SCHEMBL16644802 | 0.70 | — | — |
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-2857391-A1 | LABDANE DITERPENOID COMPOUNDS, SEMEN BIOTAE EXTRACT, AND PREPARATION METHOD AND USE THEREOF | Sun Yat-Sen University (CN) | 2015-04-08 | — | — | EP | disclosed |