⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7981306 | 0.69 | — | — | |
| SCHEMBL14733924 | 0.57 | — | — | |
| SCHEMBL17263506 | 0.57 | — | — | |
| SCHEMBL2035226 | 0.55 | — | — | |
| SCHEMBL2531786 | 0.53 | — | — | |
| SCHEMBL1142096 | 0.53 | — | — | |
| SCHEMBL9844753 | 0.52 | — | — | |
| SCHEMBL10882427 | 0.51 | — | — | |
| SCHEMBL14900001 | 0.48 | PTPN1 (0.37) | — | |
| SCHEMBL13839056 | 0.47 | CA1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1948649-A2 | FUNGICIDAL CARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007014290-A2 | FUNGICIDAL CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-02-01 | — | — | WO | disclosed |