⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6287791 | 0.96 | — | — | |
| SCHEMBL270261 | 0.82 | — | — | |
| SCHEMBL9521799 | 0.77 | — | — | |
| SCHEMBL19112682 | 0.75 | — | — | |
| SCHEMBL7517602 | 0.75 | — | — | |
| SCHEMBL10340745 | 0.71 | TSHR (0.48) | — | |
| SCHEMBL7106106 | 0.65 | — | — | |
| SCHEMBL4596443 | 0.65 | — | — | |
| SCHEMBL4946247 | 0.64 | — | — | |
| SCHEMBL18291069 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090069186-A1 | FORMULATIONS | SYNGENTA LIMITED (GB) | 2009-03-12 | — | — | US | disclosed |
| EP-1863347-A1 | FORMULATIONS | Syngenta Limited (GB) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006097690-A1 | FORMULATIONS | SYNGENTA LIMITED (GB) | 2006-09-21 | — | — | WO | disclosed |