⚠ 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 | |
|---|---|---|---|---|
| Triallate SCHEMBL8537965 | 0.98 | — | — | |
| Triallate SCHEMBL909879 | 0.96 | — | — | |
| Triallate SCHEMBL973423 | 0.96 | — | — | |
| Triallate SCHEMBL3089362 | 0.96 | — | — | |
| Triallate SCHEMBL11670923 | 0.94 | — | — | |
| Triallate SCHEMBL17700977 | 0.94 | — | — | |
| Triallate SCHEMBL3787679 | 0.94 | — | — | |
| Triallate SCHEMBL10795895 | 0.93 | — | — | |
| Triallate SCHEMBL20636814 | 0.93 | SMN1; SMN2 (0.31) | — | |
| Triallate SCHEMBL28134685 | 0.93 | — | — |
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-3122736-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2017-02-01 | — | — | EP | disclosed |
| WO-2015144881-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2015-10-01 | — | — | WO | disclosed |