⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL114805 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL16223201 | 0.81 | — | — | |
| SCHEMBL27882980 | 0.80 | — | — | |
| SCHEMBL8074240 | 0.76 | — | — | |
| SCHEMBL387200 | 0.76 | — | — | |
| SCHEMBL7623165 | 0.76 | — | — | |
| SCHEMBL28839678 | 0.75 | — | — | |
| SCHEMBL7461191 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL851966 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL15656909 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0625975-B1 | CYCLOHEXENONE OXIME ETHERS, PROCESS FOR MAKING THEM AND THEIR USE AS HERBICIDES | BASF AG (DE) | 1996-08-14 | — | — | EP | disclosed |
| EP-0625975-A1 | CYCLOHEXENONE OXIME ETHERS, PROCESS FOR MAKING THEM AND THEIR USE AS HERBICIDES. | BASF AG (DE) | 1994-11-30 | — | — | EP | disclosed |
| WO-1993016063-A1 | CYCLOHEXENONE OXIME ETHERS, PROCESS FOR MAKING THEM AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1993-08-19 | — | — | WO | disclosed |