⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4608916 | 0.83 | — | — | |
| SCHEMBL4607466 | 0.75 | — | — | |
| SCHEMBL4395172 | 0.73 | GPR3 (0.33) | — | |
| SCHEMBL4608971 | 0.72 | KDM1A (0.36) | — | |
| SCHEMBL4431948 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL4608969 | 0.69 | KDM1A (0.36) | — | |
| SCHEMBL25085860 | 0.67 | IDO1 (0.43) | — | |
| SCHEMBL31034795 | 0.67 | IDO1 (0.43) | — | |
| SCHEMBL4438081 | 0.64 | GPR3 (0.34) | — | |
| SCHEMBL29041173 | 0.63 | PARP1 (0.41) | — |
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 |