⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5198807 | 0.74 | — | — | |
| SCHEMBL5198801 | 0.74 | — | — | |
| SCHEMBL17325792 | 0.72 | — | — | |
| SCHEMBL26312408 | 0.71 | — | — | |
| SCHEMBL23653166 | 0.71 | — | — | |
| SCHEMBL26312426 | 0.70 | — | — | |
| SCHEMBL19852572 | 0.70 | — | — | |
| SCHEMBL21016677 | 0.70 | — | — | |
| SCHEMBL20122195 | 0.70 | — | — | |
| SCHEMBL16983459 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022092180-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND HAVING OXIME GROUP, AGRICULTURAL/HORTICULTURAL HERBICIDE CONTAINING SAID COMPOUND, AND USE THEREOF | 日本農薬株式会社 | 2022-05-05 | — | — | WO | disclosed |