⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27930029 | 0.88 | — | — | |
| SCHEMBL28013541 | 0.80 | MEN1 (0.30) | — | |
| SCHEMBL28160732 | 0.79 | — | — | |
| Zinc Ion SCHEMBL28006153 | 0.78 | — | — | |
| SCHEMBL28064775 | 0.78 | — | — | |
| SCHEMBL28109650 | 0.78 | — | — | |
| SCHEMBL28135198 | 0.78 | — | — | |
| SCHEMBL5328066 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28228881 | 0.77 | — | — | |
| Nitric Acid SCHEMBL29070792 | 0.76 | CA5A (0.38) | — |
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-106928161-B | Nitramifurazan energetic potassium salt, preparation method and application thereof | 中国科学院上海有机化学研究所 | 2020-05-19 | — | — | CN | disclosed |