⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25616517 | 0.83 | — | — | |
| SCHEMBL4951242 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL9702557 | 0.81 | — | — | |
| SCHEMBL9853093 | 0.78 | — | — | |
| SCHEMBL9687247 | 0.77 | — | — | |
| SCHEMBL9701498 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9102511 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9700681 | 0.73 | — | — | |
| SCHEMBL10439352 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9701327 | 0.69 | KDM4E (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140162980-A1 | NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES | SYNGENTA CROP PROTECTION LLC (US) | 2014-06-12 | — | — | US | disclosed |
| US-20140162980-A1 | NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES | SYNGENTA CROP PROTECTION LLC (US) | 2014-06-12 | — | — | US | disclosed |
| WO-2012013754-A1 | NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-02-02 | — | — | WO | disclosed |