⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13625330 | 0.78 | — | — | |
| SCHEMBL13525375 | 0.74 | — | — | |
| SCHEMBL282671 | 0.74 | — | — | |
| SCHEMBL752728 | 0.74 | — | — | |
| SCHEMBL2901955 | 0.74 | — | — | |
| SCHEMBL8316813 | 0.74 | — | — | |
| SCHEMBL7519779 | 0.74 | — | — | |
| SCHEMBL10546328 | 0.72 | NLRP3 (0.31) | — | |
| SCHEMBL9650083 | 0.70 | — | — | |
| SCHEMBL5389981 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602077-A | CONTROLLING GROWTH OF UNDESIRED VEGETATION IN PLANTATION CROPS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-02-11 | — | — | US | disclosed |
| US-5567670-A | TETRAHYDROTRIAZINE-DIONE DERIVATIVES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-10-22 | — | — | US | disclosed |
| EP-0623117-A1 | PYRIMIDIN COMPOUNDS USEFUL AS HERBICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-11-09 | — | — | EP | disclosed |
| WO-1993014073-A1 | PYRIMIDIN COMPOUNDS USEFUL AS HERBICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-07-22 | — | — | WO | disclosed |