⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29183783 | 0.80 | — | — | |
| SCHEMBL1673128 | 0.76 | — | — | |
| SCHEMBL16766999 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL27830670 | 0.69 | MMP12 (0.34) | — | |
| SCHEMBL28313237 | 0.67 | — | — | |
| SCHEMBL17476685 | 0.67 | TP53 (0.33) | — | |
| SCHEMBL28408851 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL6191849 | 0.66 | — | — | |
| SCHEMBL389955 | 0.66 | — | — | |
| SCHEMBL5834025 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117820308-A | 1,4,2,5-dioxazine bridge-based compound and synthesis method thereof | 南京理工大学 | 2024-04-05 | — | — | CN | claimed |
| CN-117820308-A | 1,4,2,5-dioxazine bridge-based compound and synthesis method thereof | 南京理工大学 | 2024-04-05 | — | — | CN | disclosed |
| CN-117820308-A | 1,4,2,5-dioxazine bridge-based compound and synthesis method thereof | 南京理工大学 | 2024-04-05 | — | — | CN | disclosed |