⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9754383 | 0.77 | — | — | |
| SCHEMBL8586609 | 0.69 | — | — | |
| SCHEMBL16326458 | 0.64 | — | — | |
| SCHEMBL18677052 | 0.64 | — | — | |
| SCHEMBL812194 | 0.57 | — | — | |
| SCHEMBL6012917 | 0.55 | — | — | |
| SCHEMBL217938 | 0.47 | ALDH1A1 (0.57) | — | |
| SCHEMBL156933 | 0.47 | — | — | |
| SCHEMBL7721455 | 0.47 | — | — | |
| SCHEMBL473081 | 0.47 | ALDH1A1 (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105198861-B | 6- acyl group -1,2,4- triazine -3,5- derovatives and herbicide | FMC公司 | 2019-11-22 | — | — | CN | disclosed |
| CN-109476680-A | The manufacturing method of organic magnesium phosphide and manufacturing method, its complex compound and manufacturing method and the organic phosphorus compound using the phosphide | 北兴化学工业株式会社 | 2019-03-15 | — | — | CN | disclosed |
| CN-106414414-A | Method for manufacturing triketone compound | 庵原化学工业株式会社 | 2017-02-15 | — | — | CN | disclosed |