⚠ 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 | |
|---|---|---|---|---|
| Amitrole SCHEMBL788110 | 0.83 | HSP90AA1 (0.33) | — | |
| Amitrole SCHEMBL44637 | 0.83 | — | — | |
| Amitrole SCHEMBL29257233 | 0.81 | — | — | |
| Amitrole SCHEMBL31379743 | 0.81 | — | — | |
| Amitrole SCHEMBL10399233 | 0.81 | — | — | |
| Amitrole SCHEMBL29040372 | 0.76 | — | — | |
| Amitrole SCHEMBL9533297 | 0.75 | — | — | |
| Amitrole SCHEMBL11745846 | 0.71 | KDM4E (0.32) | — | |
| Amitrole SCHEMBL2892139 | 0.71 | — | — | |
| Amitrole SCHEMBL2873666 | 0.70 | HSP90AA1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007147209-A1 | HERB ICIDAL COMPOSITION CONTAINING AMITROLE AND METHOD FOR CONTROLLING WEEDS | NUFARM AUSTRALIA LIMITED (AU) | 2007-12-27 | — | — | WO | disclosed |