⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14843014 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL4757613 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL2459658 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL2458137 | 0.69 | — | — | |
| SCHEMBL290398 | 0.68 | — | — | |
| SCHEMBL29384170 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL29384397 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL128924 | 0.67 | — | — | |
| SCHEMBL4242070 | 0.67 | TSHR (1.00) | — | |
| SCHEMBL7953908 | 0.67 | MEN1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113773180-B | Method for synthesizing flea beetle aggregation pheromone | 中国农业大学 | 2022-07-26 | — | — | CN | claimed |
| CN-113773180-B | Method for synthesizing flea beetle aggregation pheromone | 中国农业大学 | 2022-07-26 | — | — | CN | disclosed |
| CN-113773180-B | Method for synthesizing flea beetle aggregation pheromone | 中国农业大学 | 2022-07-26 | — | — | CN | disclosed |
| US-6255339-B1 | PREVENTION PROSGESTERONE RECEPTOR BINDING | MEIJI SEIKA KAISHA, LTD. (JP) | 2001-07-03 | — | — | US | disclosed |
| EP-0885893-A1 | NOVEL TETRAHYDRONAPHTHOFURANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | MEIJI SEIKA KAISHA LTD. (JP) | 1998-12-23 | — | — | EP | disclosed |