⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1008101 | 0.77 | — | — | |
| SCHEMBL5683308 | 0.69 | — | — | |
| SCHEMBL9792948 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL9792925 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL2852907 | 0.65 | — | — | |
| SCHEMBL9792943 | 0.65 | — | — | |
| SCHEMBL13665439 | 0.65 | — | — | |
| SCHEMBL22206293 | 0.64 | — | — | |
| SCHEMBL13668646 | 0.64 | — | — | |
| SCHEMBL10690735 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0104432-A2 | Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound | TEIJIN LIMITED (JP) | 1984-04-04 | — | — | EP | disclosed |