⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64272 | 0.97 | — | — | |
| SCHEMBL5668716 | 0.97 | SIRT3 (0.48) | — | |
| SCHEMBL29470901 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28967061 | 0.94 | SIRT3 (0.46) | — | |
| SCHEMBL34469171 | 0.94 | — | — | |
| SCHEMBL29245412 | 0.94 | SIRT3 (0.46) | — | |
| Fluoride Ion SCHEMBL17966124 | 0.92 | TRPA1 (0.45) | — | |
| SCHEMBL17966127 | 0.87 | SIRT3 (0.42) | — | |
| SCHEMBL19873979 | 0.87 | SIRT3 (0.47) | — | |
| Magnesium Chloride Anhydrous SCHEMBL28967060 | 0.87 | SIRT3 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113307728-B | Preparation method of populus canula pheromone | 南京蕃茂生物科技有限公司 | 2022-02-11 | — | — | CN | claimed |
| CN-113307728-B | Preparation method of populus canula pheromone | 南京蕃茂生物科技有限公司 | 2022-02-11 | — | — | CN | disclosed |