⚠ 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL22826 | 0.52 | — | — | |
| Potassium Ion SCHEMBL1330744 | 0.52 | — | — | |
| Potassium Ion SCHEMBL10443095 | 0.52 | MEN1 (0.75) | — | |
| Potassium Ion SCHEMBL8666799 | 0.52 | MEN1 (0.75) | — | |
| SCHEMBL133819 | 0.52 | MEN1 (0.75) | — | |
| Potassium Ion SCHEMBL1332309 | 0.52 | — | — | |
| SCHEMBL651428 | 0.52 | MEN1 (0.75) | — | |
| Potassium Ion SCHEMBL11242051 | 0.49 | MEN1 (0.67) | — | |
| Potassium Ion SCHEMBL8881511 | 0.49 | MEN1 (0.67) | — | |
| Potassium Ion SCHEMBL7611256 | 0.49 | MEN1 (0.67) | — |
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-108299442-B | 1, 4-dinitroamino-3, 6-dinitropyrazolo [4,3-c ] pyrazolecarboxylamido urea salt compound | 西安近代化学研究所 | 2019-12-10 | — | — | CN | disclosed |
| CN-108218877-B | 1, 4-dinitroamino-3, 6-dinitropyrazolo [4,3-c ] pyrazolemicarbazide salt compound | 西安近代化学研究所 | 2019-12-10 | — | — | CN | disclosed |