⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10266685 | 0.88 | — | — | |
| SCHEMBL13953330 | 0.88 | — | — | |
| SCHEMBL10257364 | 0.87 | — | — | |
| SCHEMBL10257659 | 0.85 | — | — | |
| SCHEMBL10257390 | 0.84 | — | — | |
| SCHEMBL10257592 | 0.83 | MAOA (0.32) | — | |
| SCHEMBL10257918 | 0.81 | — | — | |
| SCHEMBL10257453 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL15800417 | 0.80 | — | — | |
| SCHEMBL10257250 | 0.80 | PTGS1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2185564-B1 | Herbicidally active cyclopentanedione compounds and derivatives thereof | SYNGENTA LTD (GB) | 2014-06-18 | — | — | EP | disclosed |
| US-8754242-B2 | Herbicides | SYNGENTA CROP PROTECTION LLC (US) | 2014-06-17 | — | — | US | disclosed |
| US-8754242-B2 | Herbicides | SYNGENTA CROP PROTECTION LLC (US) | 2014-06-17 | — | — | US | disclosed |
| US-20120094832-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2012-04-19 | — | — | US | disclosed |
| US-20120094832-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2012-04-19 | — | — | US | disclosed |
| WO-2009019005-A2 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2009-02-12 | — | — | WO | disclosed |