⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12663467 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL699111 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL10935925 | 0.75 | MAPK1 (0.33) | — | |
| SCHEMBL17237453 | 0.75 | TSHR (0.52) | — | |
| SCHEMBL16968103 | 0.75 | MAPK1 (0.33) | — | |
| SCHEMBL11197220 | 0.75 | NUDT1 (0.31) | — | |
| SCHEMBL186655 | 0.73 | — | — | |
| SCHEMBL28417159 | 0.71 | — | — | |
| SCHEMBL4496764 | 0.71 | — | — | |
| SCHEMBL19906258 | 0.69 | KDM4E (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113710723-A | Use of functionalized alpha-angelicin | 汉高股份有限及两合公司 | 2021-11-26 | — | — | CN | disclosed |
| CN-113692404-A | Functionalized alpha-angelicalactone monomers and polymers obtained therefrom | 汉高股份有限及两合公司 | 2021-11-23 | — | — | CN | disclosed |