⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28283398 | 0.84 | — | — | |
| SCHEMBL28051785 | 0.76 | — | — | |
| SCHEMBL27870237 | 0.72 | ATR (0.32) | — | |
| SCHEMBL27543752 | 0.71 | CYP3A4 (0.36) | — | |
| SCHEMBL28113642 | 0.70 | CYP3A4 (0.31) | — | |
| SCHEMBL27518123 | 0.69 | — | — | |
| SCHEMBL29206056 | 0.68 | — | — | |
| SCHEMBL28945973 | 0.68 | — | — | |
| SCHEMBL29206057 | 0.68 | — | — | |
| SCHEMBL28203424 | 0.68 | HTT (0.36) | — |
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-103270034-B | The 2-pyridine carboxylic acid replaced and salt and acid derivative, and the purposes as herbicide | 拜耳知识产权有限责任公司 | 2016-07-06 | — | — | CN | disclosed |