⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28140866 | 0.69 | — | — | |
| SCHEMBL3649604 | 0.68 | — | — | |
| SCHEMBL11785228 | 0.68 | — | — | |
| SCHEMBL27675684 | 0.68 | — | — | |
| SCHEMBL14844714 | 0.68 | — | — | |
| SCHEMBL17185884 | 0.68 | — | — | |
| SCHEMBL10784242 | 0.68 | — | — | |
| SCHEMBL22133153 | 0.65 | — | — | |
| SCHEMBL14111839 | 0.64 | GSK3A (0.38) | — | |
| SCHEMBL8548465 | 0.64 | — | — |
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-117756794-A | Nitrogen-containing heterocyclic compound, and preparation method and application thereof | 和径医药科技（上海）有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-112920089-B | Method for synthesizing substituted urea compound by photocatalysis | 湖南中医药大学 | 2023-05-12 | — | — | CN | disclosed |