⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2981550 | 0.79 | MAPT (0.51) | — | |
| SCHEMBL2987211 | 0.77 | — | — | |
| SCHEMBL10079471 | 0.74 | — | — | |
| SCHEMBL560479 | 0.73 | — | — | |
| SCHEMBL560005 | 0.72 | DAO (0.30) | — | |
| SCHEMBL1038175 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL20392844 | 0.71 | MME (0.31) | — | |
| SCHEMBL13263794 | 0.69 | — | — | |
| SCHEMBL15839544 | 0.69 | MAPT (0.35) | — | |
| SCHEMBL10079479 | 0.67 | — | — |
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-8084649-B2 | Herbicides | SYNGENTA CROP PROTECTION, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100173774-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-07-08 | — | — | US | disclosed |
| EP-2121584-A2 | NOVEL HERBICIDES | Syngeta Participations AG (CH) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008110308-A2 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-09-18 | — | — | WO | disclosed |