⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22520121 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL24071923 | 0.78 | — | — | |
| SCHEMBL23055290 | 0.78 | — | — | |
| SCHEMBL22874110 | 0.75 | GRIN2D (0.35) | — | |
| SCHEMBL25789796 | 0.75 | CYP2D6 (0.35) | — | |
| SCHEMBL25788792 | 0.72 | — | — | |
| SCHEMBL22477429 | 0.71 | CYP2D6 (0.47) | — | |
| SCHEMBL22477430 | 0.71 | HRH3 (0.30) | — | |
| SCHEMBL689055 | 0.69 | L3MBTL3 (0.41) | — | |
| SCHEMBL22477400 | 0.69 | ALOX15 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114057771-B | Macrocyclic compounds, their preparation and use | 北京鞍石生物科技有限责任公司 | 2023-10-03 | — | — | CN | claimed |
| CN-114057771-A | Macrocyclic compound and preparation method and application thereof | 北京鞍石生物科技有限责任公司 | 2022-02-18 | — | — | CN | claimed |
| CN-114057771-B | Macrocyclic compounds, their preparation and use | 北京鞍石生物科技有限责任公司 | 2023-10-03 | — | — | CN | disclosed |
| CN-114057771-A | Macrocyclic compound and preparation method and application thereof | 北京鞍石生物科技有限责任公司 | 2022-02-18 | — | — | CN | disclosed |