⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8407729 | 0.76 | — | — | |
| SCHEMBL4620261 | 0.72 | — | — | |
| Carbamic Acid SCHEMBL10980935 | 0.71 | ACHE (0.37) | — | |
| SCHEMBL4440895 | 0.71 | — | — | |
| SCHEMBL276116 | 0.71 | — | — | |
| SCHEMBL3664159 | 0.71 | — | — | |
| SCHEMBL19321684 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28163117 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL22620337 | 0.67 | — | — | |
| SCHEMBL5069892 | 0.67 | ALDH1A1 (0.32) | — |
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 |