⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13028729 | 0.72 | — | — | |
| SCHEMBL31647978 | 0.72 | — | — | |
| SCHEMBL29005371 | 0.68 | PDK1 (0.31) | — | |
| SCHEMBL968063 | 0.66 | SIGMAR1 (0.43) | — | |
| SCHEMBL31126014 | 0.66 | — | — | |
| SCHEMBL2562162 | 0.66 | PNMT (0.43) | — | |
| SCHEMBL4493462 | 0.65 | PNMT (0.46) | — | |
| SCHEMBL13028717 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL11691031 | 0.63 | PNMT (0.45) | — | |
| SCHEMBL29043805 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115803317-A | Azabicyclo (thio) amides as fungicidal compounds | 拜耳作物科学股份公司 | 2023-03-14 | — | — | CN | disclosed |