⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9399083 | 1.00 | — | — | |
| SCHEMBL6111365 | 1.00 | — | — | |
| SCHEMBL6111674 | 1.00 | — | — | |
| SCHEMBL4974553 | 0.77 | SLC6A3 (0.36) | — | |
| SCHEMBL6226662 | 0.77 | SLC6A3 (0.36) | — | |
| SCHEMBL23603002 | 0.76 | — | — | |
| SCHEMBL4838694 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5559301 | 0.76 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL5559307 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL15166346 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1532132-A1 | NOVEL BENZODIOXOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004013120-A1 | NOVEL BENZODIOXOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-02-12 | — | — | WO | disclosed |