⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175335 | 0.78 | — | — | |
| SCHEMBL624756 | 0.76 | — | — | |
| SCHEMBL6026330 | 0.76 | PTGS1 (0.53) | — | |
| SCHEMBL624757 | 0.76 | — | — | |
| SCHEMBL8681760 | 0.73 | PTGS1 (0.46) | — | |
| SCHEMBL27833554 | 0.73 | — | — | |
| SCHEMBL27833568 | 0.73 | — | — | |
| SCHEMBL423889 | 0.73 | — | — | |
| SCHEMBL2829186 | 0.72 | — | — | |
| SCHEMBL238623 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0634895-A1 | HERBICIDES | ZENECA LIMITED (GB) | 1995-01-25 | — | — | EP | disclosed |
| WO-1993019599-A1 | HERBICIDES | ZENECA LIMITED (GB) | 1993-10-14 | — | — | WO | disclosed |