⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16439266 | 0.77 | GRIK1 (0.31) | — | |
| SCHEMBL16053581 | 0.77 | THRB (0.35) | — | |
| SCHEMBL386874 | 0.74 | — | — | |
| SCHEMBL27775050 | 0.74 | — | — | |
| SCHEMBL28209251 | 0.74 | — | — | |
| SCHEMBL9544259 | 0.74 | — | — | |
| SCHEMBL10110132 | 0.74 | — | — | |
| SCHEMBL131495 | 0.73 | — | — | |
| SCHEMBL11024353 | 0.70 | — | — | |
| SCHEMBL14340726 | 0.70 | GRIK1 (0.31) | — |
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 |