⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14516321 | 0.70 | — | — | |
| SCHEMBL28791654 | 0.55 | — | — | |
| SCHEMBL12011111 | 0.50 | — | — | |
| SCHEMBL22793177 | 0.46 | — | — | |
| SCHEMBL11371754 | 0.45 | — | — | |
| SCHEMBL3117258 | 0.43 | — | — | |
| SCHEMBL676625 | 0.43 | — | — | |
| SCHEMBL4645948 | 0.41 | — | — | |
| SCHEMBL424728 | 0.39 | TSHR (0.73) | — | |
| SCHEMBL7132801 | 0.39 | ALDH1A1 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021018287-A1 | SPIROAROMATIC COMPOUND, PREPARATION AND APPLICATION THEREOF | 上海奕拓医药科技有限责任公司 | 2021-02-04 | — | — | WO | disclosed |