⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5767700 | 0.81 | — | — | |
| SCHEMBL6013891 | 0.77 | DNM1 (0.42) | — | |
| SCHEMBL17188589 | 0.75 | — | — | |
| SCHEMBL3984946 | 0.73 | — | — | |
| SCHEMBL17188597 | 0.73 | — | — | |
| SCHEMBL17669200 | 0.73 | — | — | |
| SCHEMBL193084 | 0.72 | — | — | |
| SCHEMBL7634172 | 0.69 | — | — | |
| SCHEMBL14085330 | 0.68 | — | — | |
| SCHEMBL19993127 | 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 |
|---|---|---|---|---|---|---|---|
| US-10696634-B2 | Pyridine compounds as fungicides | BASF SE (DE) | 2020-06-30 | — | — | US | disclosed |