⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29035860 | 0.60 | — | — | |
| Hydrogen Peroxide SCHEMBL28709584 | 0.49 | MEN1 (0.60) | — | |
| SCHEMBL29130677 | 0.49 | — | — | |
| Hydrogen Peroxide SCHEMBL28789390 | 0.48 | ALDH1A1 (0.72) | — | |
| SCHEMBL651428 | 0.47 | MEN1 (0.75) | — | |
| SCHEMBL7777206 | 0.46 | MEN1 (0.33) | — | |
| Nitric Acid SCHEMBL6307682 | 0.46 | — | — | |
| Nitric Acid SCHEMBL2388920 | 0.46 | — | — | |
| Nitric Acid SCHEMBL11745163 | 0.46 | — | — | |
| Nitric Acid SCHEMBL10785016 | 0.46 | CA5A (0.80) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2375898-B1 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-09-16 | — | — | EP | claimed |
| EP-2997824-A1 | NOVEL HERBICIDES | Syngenta Participations AG. (CH) | 2016-03-23 | — | — | EP | disclosed |
| EP-2375898-B1 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-09-16 | — | — | EP | disclosed |
| CN-104193693-A | NOVEL HERBICIDES | SYNGENTA LTD | 2014-12-10 | — | — | CN | disclosed |
| US-8889595-B2 | Herbicides | SYNGENTA PARTICIPATIONS AG (CH) | 2014-11-18 | — | — | US | disclosed |
| US-20120065064-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-03-15 | — | — | US | disclosed |
| CN-102300458-A | New herbicides | — | 2011-12-28 | — | — | CN | disclosed |