⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18699655 | 0.79 | — | — | |
| SCHEMBL18550516 | 0.79 | — | — | |
| SCHEMBL23448754 | 0.74 | — | — | |
| SCHEMBL18745338 | 0.74 | — | — | |
| SCHEMBL16216985 | 0.73 | — | — | |
| SCHEMBL20432787 | 0.73 | — | — | |
| SCHEMBL10304886 | 0.72 | — | — | |
| SCHEMBL21704392 | 0.71 | — | — | |
| SCHEMBL8054697 | 0.71 | — | — | |
| SCHEMBL21538179 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012148622-A1 | HERBICIDAL PYRAZINONES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-11-01 | — | — | WO | disclosed |
| WO-2012033548-A2 | HERBICIDAL BIS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |
| WO-2011031658-A1 | HERBICIDAL PYRIMIDONE DERIVATIVES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-03-17 | — | — | WO | disclosed |