⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9802253 | 0.87 | — | — | |
| SCHEMBL9802500 | 0.76 | — | — | |
| SCHEMBL9802279 | 0.73 | POLB (0.39) | — | |
| SCHEMBL9802250 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL9802350 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL11722300 | 0.55 | POLB (0.33) | — | |
| SCHEMBL17974343 | 0.51 | BACH1 (0.30) | — | |
| SCHEMBL2388357 | 0.44 | — | — | |
| SCHEMBL2747261 | 0.43 | — | — | |
| SCHEMBL12464060 | 0.43 | — | — |
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-5076833-A | HERBICIDAL AND PLANT GROWTH-REGULATING 6-(PENT-3-YL)-1,2,4-TRIAZIN-5(4H)-ONES | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | claimed |
| EP-0399310-A1 | 6-(Pent-3-yl)-1,2,4-triazin-5-(4H)-ones, process for their preparation and their use as herbicides and plant growth regulators | BAYER AG (DE) | 1990-11-28 | — | — | EP | claimed |
| US-5076833-A | HERBICIDAL AND PLANT GROWTH-REGULATING 6-(PENT-3-YL)-1,2,4-TRIAZIN-5(4H)-ONES | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |
| EP-0399310-A1 | 6-(Pent-3-yl)-1,2,4-triazin-5-(4H)-ones, process for their preparation and their use as herbicides and plant growth regulators | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |