⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4607420 | 0.80 | EGLN1 (0.30) | — | |
| SCHEMBL23140929 | 0.69 | IDO1 (0.48) | — | |
| SCHEMBL4608809 | 0.68 | METAP2 (0.34) | — | |
| SCHEMBL4427520 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL533642 | 0.65 | AGXT (0.41) | — | |
| SCHEMBL10451551 | 0.65 | PNMT (0.54) | — | |
| SCHEMBL21507826 | 0.65 | SHMT1 (0.36) | — | |
| SCHEMBL4431948 | 0.64 | MEN1 (0.33) | — | |
| SCHEMBL4427523 | 0.63 | PTGES (0.35) | — | |
| Formamide SCHEMBL6016424 | 0.63 | AGXT (0.45) | — |
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 |