⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42320 | 0.70 | — | — | |
| SCHEMBL2059977 | 0.70 | — | — | |
| SCHEMBL9655855 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL461303 | 0.67 | L3MBTL1 (0.30) | — | |
| SCHEMBL19782 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL8975953 | 0.67 | — | — | |
| SCHEMBL31306179 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL1115597 | 0.67 | — | — | |
| SCHEMBL4932377 | 0.67 | — | — | |
| SCHEMBL1790204 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113004299-B | Xanthone compound in mangosteen bark for reducing postprandial blood sugar, and extraction method and application thereof | 中国人民解放军北部战区总医院 | 2022-11-11 | — | — | CN | disclosed |