⚠ 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 | |
|---|---|---|---|---|
| Imidazolinone SCHEMBL181499 | 0.67 | — | — | |
| Imidazolinone SCHEMBL9207890 | 0.65 | — | — | |
| SCHEMBL118144 | 0.61 | — | — | |
| SCHEMBL11146649 | 0.60 | — | — | |
| SCHEMBL1040991 | 0.58 | — | — | |
| SCHEMBL2489608 | 0.58 | — | — | |
| SCHEMBL7836652 | 0.58 | — | — | |
| SCHEMBL736481 | 0.56 | — | — | |
| SCHEMBL1057700 | 0.54 | — | — | |
| SCHEMBL16058947 | 0.54 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59141571-A | — | — | None | — | — | JP | disclosed |
| JP-59141571-A | — | — | None | — | — | JP | disclosed |
| JP-59118776-A | — | — | None | — | — | JP | disclosed |
| JP-S59141571-A | 1,6-DIHYDRO-1,2,4-TRIAZIN-5(4H)-ONE DERIVATIVE, PREPARATION THEREOF AND HERBICIDE CONTAINING THE SAME AS ACTIVE CONSTITUENT | SUMITOMO CHEM CO LTD | 1984-08-14 | — | — | JP | disclosed |
| JP-S59141571-A | 1,6-DIHYDRO-1,2,4-TRIAZIN-5(4H)-ONE DERIVATIVE, PREPARATION THEREOF AND HERBICIDE CONTAINING THE SAME AS ACTIVE CONSTITUENT | SUMITOMO CHEM CO LTD | 1984-08-14 | — | — | JP | disclosed |
| JP-S59118776-A | 1,6-DIHYDRO-1,2,4-TRIAZINE-5(4H)-ONE DERIVATIVE, ITS PREPARATION, AND HERBICIDE CONTAINING IT AS ACTIVE INGREDIENT | SUMITOMO CHEM CO LTD | 1984-07-09 | — | — | JP | disclosed |