⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8735658 | 0.82 | — | — | |
| SCHEMBL25297713 | 0.80 | — | — | |
| SCHEMBL25291747 | 0.78 | ADH1B (0.48) | — | |
| SCHEMBL25252024 | 0.78 | ADH1B (0.48) | — | |
| SCHEMBL9269996 | 0.75 | — | — | |
| SCHEMBL7950753 | 0.73 | — | — | |
| SCHEMBL25246824 | 0.73 | — | — | |
| SCHEMBL922060 | 0.73 | — | — | |
| SCHEMBL8295411 | 0.73 | — | — | |
| SCHEMBL2993171 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4439229-A | Substituted phthalimides herbicides | ROHM AND HAAS COMPANY (US) | 1984-03-27 | — | — | US | disclosed |
| EP-0068822-A2 | Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds | ROHM AND HAAS COMPANY (US) | 1983-01-05 | — | — | EP | disclosed |