⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12475121 | 0.73 | AKR1C3 (0.36) | — | |
| SCHEMBL17237808 | 0.66 | TSHR (0.37) | — | |
| SCHEMBL17237810 | 0.66 | TSHR (0.37) | — | |
| SCHEMBL17237802 | 0.61 | TSHR (0.37) | — | |
| SCHEMBL17237804 | 0.61 | TSHR (0.37) | — | |
| SCHEMBL1132078 | 0.61 | — | — | |
| SCHEMBL10504926 | 0.61 | SLC6A3 (0.36) | — | |
| SCHEMBL13860670 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL15840887 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL22734453 | 0.59 | ESR2 (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2176222-B1 | NOVEL HERBICIDES | SYNGENTA LTD (GB) | 2014-11-05 | — | — | EP | disclosed |
| EP-2176222-B1 | NOVEL HERBICIDES | SYNGENTA LTD (GB) | 2014-11-05 | — | — | EP | disclosed |
| US-8598365-B2 | Herbicides | SYNGENTA LIMITED (GB) | 2013-12-03 | — | — | US | disclosed |
| US-8541594-B2 | — | — | 2013-09-24 | — | — | US | disclosed |
| US-8541594-B2 | — | — | 2013-09-24 | — | — | US | disclosed |
| US-8541594-B2 | — | — | 2013-09-24 | — | — | US | disclosed |
| US-20120040826-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2012-02-16 | — | — | US | disclosed |
| US-20120040826-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2012-02-16 | — | — | US | disclosed |
| US-20120040826-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2012-02-16 | — | — | US | disclosed |
| EP-2176222-A1 | NOVEL HERBICIDES | Syngenta Limited (GB) | 2010-04-21 | — | — | EP | disclosed |
| WO-2009015877-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2009-02-05 | — | — | WO | disclosed |