⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9323505 | 0.67 | — | — | |
| SCHEMBL671575 | 0.65 | — | — | |
| SCHEMBL314937 | 0.65 | — | — | |
| SCHEMBL25440360 | 0.62 | — | — | |
| SCHEMBL9963726 | 0.62 | — | — | |
| SCHEMBL21160908 | 0.62 | — | — | |
| SCHEMBL16477942 | 0.61 | VHL (0.39) | — | |
| SCHEMBL15354785 | 0.61 | VHL (0.39) | — | |
| SCHEMBL2177755 | 0.61 | — | — | |
| SCHEMBL9585 | 0.61 | — | — |
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-0407888-B1 | Pyrimido[5,4-e]-as-triazine-5,7(6H,8H)-diones used to control undesirable plant growth | BASF AG (DE) | 1994-03-09 | — | — | EP | disclosed |
| EP-0407888-A1 | Pyrimido[5,4-e]-as-triazine-5,7(6H,8H)-diones used to control undesirable plant growth | BASF Aktiengesellschaft (DE) | 1991-01-16 | — | — | EP | disclosed |