⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6228672 | 0.77 | — | — | |
| SCHEMBL2033398 | 0.68 | TOP1 (0.39) | — | |
| SCHEMBL6089366 | 0.67 | PARP1 (0.35) | — | |
| SCHEMBL11497162 | 0.67 | CES1 (0.46) | — | |
| SCHEMBL9129097 | 0.67 | — | — | |
| SCHEMBL2174440 | 0.66 | HTR2C (0.43) | — | |
| SCHEMBL8491509 | 0.66 | CYP3A4 (0.33) | — | |
| SCHEMBL9206745 | 0.63 | — | — | |
| SCHEMBL5966671 | 0.63 | — | — | |
| SCHEMBL3333311 | 0.63 | HTR2C (0.46) | — |
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-112334465-B | Tricyclic substituted oxaspiro derivatives, preparation and pharmaceutical use thereof | 上海海雁医药科技有限公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-112334465-A | Tricyclic substituted oxaspiro derivatives, preparation method and medical application thereof | 上海海雁医药科技有限公司 | 2021-02-05 | — | — | CN | disclosed |