⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6591311 | 0.73 | — | — | |
| SCHEMBL25393445 | 0.73 | — | — | |
| SCHEMBL283273 | 0.71 | — | — | |
| SCHEMBL1085972 | 0.67 | — | — | |
| SCHEMBL10456130 | 0.62 | — | — | |
| SCHEMBL1920521 | 0.62 | — | — | |
| SCHEMBL4940627 | 0.58 | — | — | |
| SCHEMBL375711 | 0.57 | — | — | |
| SCHEMBL21647296 | 0.55 | — | — | |
| SCHEMBL8169190 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8153788-B2 | Substituted 2,4-diamino-1,3,5-triazines, processes for their use as herbicides and crop growth regulators | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2012-04-10 | — | — | US | disclosed |
| US-20090005250-A1 | Substituted 2,4-diamino-1,3,5-triazines, processes for their use as herbicides and crop growth regulators | BAYER CROPSCIENCE AG (DE) | 2009-01-01 | — | — | US | disclosed |