⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3259189 | 0.94 | — | — | |
| Fluoride SCHEMBL10590344 | 0.89 | — | — | |
| SCHEMBL32683619 | 0.76 | MEN1 (0.75) | — | |
| Ammonia Solution, Strong SCHEMBL5414751 | 0.71 | MEN1 (0.88) | — | |
| SCHEMBL1773376 | 0.71 | MEN1 (0.67) | — | |
| SCHEMBL1772916 | 0.71 | MEN1 (0.67) | — | |
| SCHEMBL11026559 | 0.71 | — | — | |
| SCHEMBL314786 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL10626198 | 0.71 | MEN1 (0.88) | — | |
| SCHEMBL20718914 | 0.71 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-204902681-U | Firework formula gas generator's loaded constitution | NORTH SPECIAL ENERGY GROUP CO LTD XI AN QINGHUA CO LTD | 2015-12-23 | — | — | CN | disclosed |