⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4561818 | 0.74 | — | — | |
| SCHEMBL2454457 | 0.74 | F2 (0.45) | — | |
| SCHEMBL222677 | 0.74 | — | — | |
| SCHEMBL28424145 | 0.69 | VCAM1 (0.38) | — | |
| SCHEMBL18463797 | 0.61 | — | — | |
| SCHEMBL31243248 | 0.61 | — | — | |
| SCHEMBL24044943 | 0.59 | — | — | |
| SCHEMBL28879327 | 0.57 | — | — | |
| SCHEMBL23502689 | 0.56 | — | — | |
| SCHEMBL937 | 0.56 | — | — |
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-116120204-A | Method for synthesizing N-NO compound | 武汉大学 | 2023-05-16 | — | — | CN | disclosed |
| CN-111235597-B | Synthesis method of nitroazole energetic compound | 南京理工大学 | 2020-10-30 | — | — | CN | disclosed |
| CN-111235597-A | Synthesis method of nitroazole energetic compound | 南京理工大学 | 2020-06-05 | — | — | CN | disclosed |