⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21911281 | 0.77 | — | — | |
| SCHEMBL22757768 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL12620863 | 0.59 | — | — | |
| SCHEMBL21136356 | 0.59 | — | — | |
| SCHEMBL18063418 | 0.56 | — | — | |
| SCHEMBL15380722 | 0.54 | — | — | |
| SCHEMBL4301151 | 0.54 | — | — | |
| SCHEMBL16807892 | 0.54 | — | — | |
| SCHEMBL21136359 | 0.53 | — | — | |
| SCHEMBL11605004 | 0.52 | — | — |
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-2020056090-A1 | FUNGICIDAL HALOMETHYL KETONES AND HYDRATES | FMC CORPORATION (US) | 2020-03-19 | — | — | WO | disclosed |