⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13351140 | 1.00 | — | — | |
| SCHEMBL400738 | 0.84 | — | — | |
| SCHEMBL269618 | 0.84 | — | — | |
| SCHEMBL2437968 | 0.81 | — | — | |
| SCHEMBL2408541 | 0.81 | — | — | |
| SCHEMBL13350781 | 0.78 | ADH1B (0.47) | — | |
| SCHEMBL2702682 | 0.76 | ADH1B (0.40) | — | |
| SCHEMBL1911356 | 0.76 | ADH1B (0.40) | — | |
| SCHEMBL19018143 | 0.76 | — | — | |
| SCHEMBL13350908 | 0.76 | GRIK1 (0.33) | — |
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-2016012333-A1 | PESTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-01-28 | — | — | WO | disclosed |