⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14404682 | 0.82 | GAA (0.41) | — | |
| SCHEMBL300057 | 0.81 | — | — | |
| SCHEMBL7523195 | 0.79 | — | — | |
| SCHEMBL8439433 | 0.79 | — | — | |
| SCHEMBL9678319 | 0.79 | GAA (0.42) | — | |
| SCHEMBL29972719 | 0.77 | ALDH1A1 (0.45) | — | |
| SCHEMBL7618800 | 0.77 | GAA (0.50) | — | |
| SCHEMBL149187 | 0.77 | — | — | |
| SCHEMBL29834112 | 0.77 | ACHE (0.54) | — | |
| Acetonitrile SCHEMBL7518462 | 0.77 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0443513-B1 | Azoxy compounds | KOWA CO (JP) | 1995-02-22 | — | — | EP | disclosed |
| US-5264559-A | Fungicides | KOWA COMPANY LTD. (JP) | 1993-11-23 | — | — | US | disclosed |
| EP-0443513-A2 | Azoxy compounds | KOWA COMPANY, LTD. (JP) | 1991-08-28 | — | — | EP | disclosed |