⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL938 | 0.71 | — | — | |
| SCHEMBL27996263 | 0.71 | XDH (0.33) | — | |
| SCHEMBL1066878 | 0.70 | — | — | |
| Charcoal, Activated SCHEMBL30986727 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27975795 | 0.70 | — | — | |
| SCHEMBL28655364 | 0.67 | — | — | |
| SCHEMBL4268460 | 0.66 | — | — | |
| SCHEMBL30969462 | 0.64 | — | — | |
| SCHEMBL27359956 | 0.64 | — | — | |
| SCHEMBL29006138 | 0.62 | — | — |
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-113185522-B | Planar pyrazolo triazine energetic molecule and synthesis method thereof | 中国工程物理研究院化工材料研究所 | 2023-03-21 | — | — | CN | disclosed |
| CN-113185522-A | Planar pyrazolo triazine energetic molecule and synthesis method thereof | 中国工程物理研究院化工材料研究所 | 2021-07-30 | — | — | CN | disclosed |