⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22339031 | 0.74 | — | — | |
| SCHEMBL23729495 | 0.74 | — | — | |
| SCHEMBL23666985 | 0.67 | — | — | |
| SCHEMBL24445245 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL18744005 | 0.63 | — | — | |
| SCHEMBL19868475 | 0.63 | — | — | |
| SCHEMBL4550921 | 0.63 | — | — | |
| SCHEMBL24158688 | 0.62 | — | — | |
| SCHEMBL14970472 | 0.62 | — | — | |
| SCHEMBL18745322 | 0.60 | — | — |
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-2017217553-A1 | OXIME COMPOUND AND HERBICIDE | 日産化学工業株式会社 | 2017-12-21 | — | — | WO | disclosed |