⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2085606 | 0.69 | — | — | |
| SCHEMBL29002963 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL8837921 | 0.59 | — | — | |
| SCHEMBL5100457 | 0.57 | — | — | |
| SCHEMBL7373321 | 0.55 | — | — | |
| SCHEMBL26978 | 0.48 | MEN1 (0.75) | — | |
| SCHEMBL9166412 | 0.48 | MEN1 (0.75) | — | |
| SCHEMBL3028452 | 0.48 | — | — | |
| SCHEMBL651428 | 0.48 | MEN1 (0.75) | — | |
| SCHEMBL1476442 | 0.45 | MEN1 (0.67) | — |
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-6465457-B1 | CONTROLLING PATHOGENS ON PLANTS OR SEEDS | ZENECA LIMITED (GB) | 2002-10-15 | — | — | US | disclosed |
| WO-1993007116-A1 | FUNGICIDES | ZENECA LIMITED (GB) | 1993-04-15 | — | — | WO | disclosed |