⚠ 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 | |
|---|---|---|---|---|
| Cyclooctane SCHEMBL1576491 | 0.80 | TTR (0.33) | — | |
| SCHEMBL29967 | 0.80 | — | — | |
| SCHEMBL17180694 | 0.76 | — | — | |
| Hydrogen Sulfide SCHEMBL5789620 | 0.76 | TTR (0.36) | — | |
| Tetraoxane SCHEMBL3273646 | 0.76 | TTR (0.36) | — | |
| Water SCHEMBL9442576 | 0.76 | TTR (0.36) | — | |
| Cyclohexene SCHEMBL27615967 | 0.73 | — | — | |
| SCHEMBL3741249 | 0.72 | ALDH1A1 (0.47) | — | |
| Cyclohexene SCHEMBL28106419 | 0.70 | TTR (0.46) | — | |
| Oxirane SCHEMBL9065683 | 0.69 | — | — |
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-0938306-B1 | ANTIMALARIAL COMPOSITIONS CONTAINING CIS-FUSED CYCLOPENTENO-1,2,4-TRIOXANE DERIVATIVES | PHARMA MAR SA (ES) | 2002-09-25 | — | — | EP | claimed |