⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL96706 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL263071 | 0.69 | — | — | |
| SCHEMBL6659883 | 0.67 | — | — | |
| Methane SCHEMBL7075905 | 0.67 | — | — | |
| SCHEMBL777472 | 0.67 | — | — | |
| SCHEMBL11416654 | 0.64 | — | — | |
| SCHEMBL6722007 | 0.64 | — | — | |
| SCHEMBL7629951 | 0.64 | — | — | |
| SCHEMBL5073941 | 0.64 | — | — | |
| SCHEMBL150610 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1341776-A1 | BENZAZOLONYLCARBONYL CYCLOHEXENONES AND USE THEREOF AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-10 | — | — | EP | disclosed |
| WO-2002048121-A1 | BENZAZOLONYLCARBONYL CYCLOHEXENONES AND USE THEREOF AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | WO | disclosed |