⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31379750 | 1.00 | — | — | |
| SCHEMBL325566 | 0.81 | — | — | |
| Charcoal, Activated SCHEMBL10934706 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL28826550 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL9227323 | 0.61 | — | — | |
| SCHEMBL14458073 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL10706099 | 0.55 | — | — | |
| SCHEMBL2830662 | 0.54 | ALDH1A1 (0.35) | — | |
| Benzoquinone SCHEMBL28177894 | 0.52 | ALDH1A1 (0.57) | — | |
| Benzoquinone SCHEMBL11031539 | 0.50 | ALDH1A1 (0.80) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025005711-A1 | COMPOSITION FOR PREVENTING OR TREATING AMEBIASIS, COMPRISING, AS ACTIVE INGREDIENT, EXTRACT OF XANTHIUM ORIENTALE L., FRACTION THEREOF OR COMPOUND ISOLATED THEREFROM | 경상국립대학교산학협력단 | 2025-01-02 | — | — | WO | disclosed |