⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL560005 | 0.82 | DAO (0.30) | — | |
| SCHEMBL1831356 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL10207861 | 0.74 | MAOA (0.32) | — | |
| SCHEMBL1038175 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL1830730 | 0.73 | — | — | |
| SCHEMBL2981550 | 0.73 | MAPT (0.51) | — | |
| SCHEMBL2992259 | 0.73 | — | — | |
| SCHEMBL2987211 | 0.71 | — | — | |
| SCHEMBL12239207 | 0.71 | NPC1 (0.30) | — | |
| SCHEMBL12239337 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8735322-B2 | Herbicides | SYNGENTA LIMITED (GB) | 2014-05-27 | — | — | US | disclosed |
| EP-2350034-B1 | NOVEL HERBICIDES | SYNGENTA LTD (GB) | 2013-08-28 | — | — | EP | disclosed |
| US-20120035053-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-02-09 | — | — | US | disclosed |
| EP-2350034-A1 | NOVEL HERBICIDES | Syngenta Limited (GB) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010046194-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2010-04-29 | — | — | WO | disclosed |