⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL795317 | 0.69 | — | — | |
| Water SCHEMBL9178692 | 0.67 | — | — | |
| SCHEMBL10548290 | 0.65 | — | — | |
| SCHEMBL11410005 | 0.65 | — | — | |
| SCHEMBL5407698 | 0.65 | — | — | |
| SCHEMBL22632040 | 0.64 | — | — | |
| SCHEMBL10585018 | 0.64 | — | — | |
| SCHEMBL6722216 | 0.64 | — | — | |
| SCHEMBL16889089 | 0.64 | — | — | |
| SCHEMBL4337409 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11827616-B2 | Heterocyclic compounds as pesticides | DISCOVERY PURCHASER CORPORATION (US) | 2023-11-28 | — | — | US | disclosed |
| US-20200062729-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES | DISCOVERY PURCHASER CORPORATION | 2020-02-27 | — | — | US | disclosed |