⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL708993 | 0.62 | KDM1A (0.31) | — | |
| SCHEMBL7751743 | 0.61 | KDM1A (0.30) | — | |
| SCHEMBL455257 | 0.61 | KDM1A (0.33) | — | |
| SCHEMBL7090933 | 0.60 | TLR4 (0.37) | — | |
| SCHEMBL1234810 | 0.57 | MAPT (0.42) | — | |
| SCHEMBL122872 | 0.55 | KDM1A (0.50) | — | |
| SCHEMBL28927594 | 0.55 | MAPT (0.41) | — | |
| SCHEMBL80431 | 0.55 | KDM1A (0.45) | — | |
| SCHEMBL7144001 | 0.55 | MAPT (0.41) | — | |
| SCHEMBL1904517 | 0.55 | KDM1A (0.50) | — |
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-2598487-A1 | NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES | Syngenta Participations AG (CH) | 2013-06-05 | — | — | EP | disclosed |
| CN-103038217-A | Novel microbiocidal dioxime ether derivatives | SYNGENTA PARTICIPATIONS AG | 2013-04-10 | — | — | CN | disclosed |
| WO-2012013754-A1 | NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-02-02 | — | — | WO | disclosed |