⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27164651 | 0.80 | — | — | |
| SCHEMBL16596098 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL245730 | 0.69 | — | — | |
| SCHEMBL8976818 | 0.69 | — | — | |
| SCHEMBL4764847 | 0.67 | — | — | |
| Iodide SCHEMBL31361258 | 0.66 | — | — | |
| Ethane SCHEMBL6711452 | 0.66 | — | — | |
| Ammonia Solution, Strong SCHEMBL3830975 | 0.66 | — | — | |
| SCHEMBL23209403 | 0.65 | — | — | |
| SCHEMBL18606525 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0325085-B1 | HERBICIDAL DERIVATIVES OF TETRAHYDROPYRAN-2,4-DIONES | BASF Aktiengesellschaft (DE) | 1993-08-18 | — | — | EP | disclosed |
| EP-0177913-B1 | CYCLOHEXENONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | BASF Aktiengesellschaft (DE) | 1990-01-03 | — | — | EP | disclosed |
| EP-0325085-A2 | Herbicidal derivatives of tetrahydropyran-2,4-diones | BASF Aktiengesellschaft (DE) | 1989-07-26 | — | — | EP | disclosed |
| US-4842638-A | Herbicidal tetrahydro(thio)pyran-2,4-dione derivatives | BASF AKTIENGESELLSCHAFT (DE) | 1989-06-27 | — | — | US | disclosed |
| US-4624696-A | Cyclohexenone derivatives and their use for controlling undesirable plant growth | BASF AKTIENGESELLSCHAFT (DE) | 1986-11-25 | — | — | US | disclosed |
| EP-0177913-A1 | Cyclohexenone derivatives, process for their preparation and their use as herbicides | BASF Aktiengesellschaft (DE) | 1986-04-16 | — | — | EP | disclosed |