⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10237961 | 0.94 | — | — | |
| SCHEMBL13058533 | 0.85 | L3MBTL1 (0.30) | — | |
| SCHEMBL10237955 | 0.83 | GRM2 (0.37) | — | |
| SCHEMBL10238010 | 0.82 | CRHR1 (0.32) | — | |
| SCHEMBL10237956 | 0.81 | CYP11B1 (0.36) | — | |
| SCHEMBL608047 | 0.80 | HRH3 (0.41) | — | |
| SCHEMBL10237937 | 0.80 | HRH3 (0.41) | — | |
| SCHEMBL16215992 | 0.80 | HRH3 (0.41) | — | |
| SCHEMBL10237940 | 0.80 | PDE3B (0.34) | — | |
| SCHEMBL13041519 | 0.79 | — | — |
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-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 |
| WO-2009015877-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2009-02-05 | — | — | WO | disclosed |