⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16289593 | 0.80 | — | — | |
| SCHEMBL426079 | 0.73 | — | — | |
| SCHEMBL15160656 | 0.71 | PTGS2 (0.33) | — | |
| SCHEMBL5383186 | 0.65 | — | — | |
| SCHEMBL1106716 | 0.63 | — | — | |
| SCHEMBL8833394 | 0.61 | — | — | |
| SCHEMBL14304289 | 0.61 | — | — | |
| SCHEMBL17205088 | 0.61 | — | — | |
| SCHEMBL13841287 | 0.61 | — | — | |
| SCHEMBL26584499 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2713755-B1 | CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME | SUMITOMO CHEMICAL CO (JP) | 2016-02-24 | — | — | EP | disclosed |
| US-9101140-B2 | Cyclohexanone compounds and herbicides comprising the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-08-11 | — | — | US | disclosed |
| US-9101140-B2 | Cyclohexanone compounds and herbicides comprising the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-08-11 | — | — | US | disclosed |
| US-20140228219-A1 | CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-08-14 | — | — | US | disclosed |
| US-20140228219-A1 | CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-08-14 | — | — | US | disclosed |