⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29591443 | 0.97 | — | — | |
| SCHEMBL168042 | 0.97 | — | — | |
| Phosphine SCHEMBL17580267 | 0.94 | — | — | |
| Fluoride SCHEMBL19837704 | 0.94 | TSHR (0.53) | — | |
| Fluoride SCHEMBL8966802 | 0.94 | TSHR (0.53) | — | |
| Bromide SCHEMBL15754374 | 0.94 | — | — | |
| Water SCHEMBL28152579 | 0.94 | — | — | |
| Potassium Ion SCHEMBL11774711 | 0.91 | TSHR (0.50) | — | |
| Hydrochloric Acid SCHEMBL7436812 | 0.91 | TSHR (0.50) | — | |
| Hydrochloric Acid SCHEMBL7436809 | 0.91 | TSHR (0.50) | — |
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-109761944-A | A kind of chrysin amide derivatives and preparation method thereof and medical usage | 武汉翼博济生生物科技有限公司 | 2019-05-17 | — | — | CN | claimed |