⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30740541 | 0.81 | — | — | |
| SCHEMBL1104694 | 0.74 | — | — | |
| SCHEMBL798034 | 0.74 | — | — | |
| SCHEMBL1104699 | 0.74 | — | — | |
| SCHEMBL3369450 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL21538323 | 0.67 | — | — | |
| SCHEMBL17403819 | 0.67 | — | — | |
| SCHEMBL9883697 | 0.67 | — | — | |
| SCHEMBL17403818 | 0.67 | — | — | |
| SCHEMBL547964 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117229281-A | Di-parallel ring derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-15 | — | — | CN | disclosed |
| EP-0429535-A1 | FUNGICIDAL BENZODIOXANE AMINE DERIVATIVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-06-05 | — | — | EP | disclosed |
| EP-0359400-A1 | Fungicidal benzodioxane amine derivatives | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| WO-1990002122-A1 | FUNGICIDAL BENZODIOXANE AMINE DERIVATIVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-03-08 | — | — | WO | disclosed |