⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL912854 | 0.75 | TSHR (0.45) | — | |
| SCHEMBL596909 | 0.73 | — | — | |
| SCHEMBL180149 | 0.71 | — | — | |
| SCHEMBL6183701 | 0.71 | — | — | |
| SCHEMBL15001211 | 0.71 | — | — | |
| SCHEMBL1337969 | 0.71 | — | — | |
| SCHEMBL988545 | 0.70 | — | — | |
| SCHEMBL3900179 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL308917 | 0.69 | — | — | |
| SCHEMBL8070734 | 0.69 | CA1 (0.40) | — |
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-116891462-A | Mountain nuciferine derivative and preparation method and application thereof | 上海如凌生物医药有限公司 | 2023-10-17 | — | — | CN | disclosed |