⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1356389 | 0.79 | — | — | |
| SCHEMBL21526709 | 0.72 | — | — | |
| SCHEMBL39621 | 0.72 | — | — | |
| SCHEMBL39109 | 0.71 | — | — | |
| SCHEMBL5149416 | 0.71 | — | — | |
| SCHEMBL30979209 | 0.69 | — | — | |
| SCHEMBL23111352 | 0.69 | ACE2 (0.35) | — | |
| SCHEMBL7569651 | 0.68 | — | — | |
| SCHEMBL7416135 | 0.68 | — | — | |
| SCHEMBL808481 | 0.68 | GRM6 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2584896-A2 | HERBICIDAL COMPOSITIONS | BASF SE (DE) | 2013-05-01 | — | — | EP | disclosed |
| US-20130102463-A1 | Herbicidal Compositions | BASF SE (DE) | 2013-04-25 | — | — | US | disclosed |
| WO-2011161105-A2 | HERBICIDAL COMPOSITIONS | BASF SE (DE) | 2011-12-29 | — | — | WO | disclosed |