⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL6934476 | 0.84 | TSHR (0.33) | — | |
| Ether SCHEMBL368206 | 0.81 | — | — | |
| Ether SCHEMBL233512 | 0.78 | TTR (0.43) | — | |
| Ether SCHEMBL10539362 | 0.78 | TTR (0.43) | — | |
| Ether SCHEMBL8643412 | 0.78 | — | — | |
| Dioxane SCHEMBL1559719 | 0.78 | TTR (0.43) | — | |
| SCHEMBL29967 | 0.78 | — | — | |
| Ether SCHEMBL12988654 | 0.75 | TSHR (0.34) | — | |
| Tetraoxane SCHEMBL3273646 | 0.74 | TTR (0.36) | — | |
| Water SCHEMBL9442576 | 0.74 | TTR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993014756-A1 | 1,2,4-TRIOXANE COMPOUNDS HAVING ANTIMALARIAL ACTIVITY | THE JOHNS HOPKINS UNIVERSITY (US) | 1993-08-05 | — | — | WO | disclosed |
| US-5225437-A | 1,2,4-trioxane compounds having antimalarial activity | THE JOHNS HOPKINS UNIVERSITY (US) | 1993-07-06 | — | — | US | disclosed |