⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14234783 | 0.90 | PKM (0.30) | — | |
| SCHEMBL15944256 | 0.89 | — | — | |
| SCHEMBL15944332 | 0.85 | — | — | |
| SCHEMBL15944253 | 0.82 | — | — | |
| SCHEMBL14234788 | 0.82 | PKM (0.39) | — | |
| SCHEMBL14234791 | 0.82 | — | — | |
| SCHEMBL15944336 | 0.81 | — | — | |
| SCHEMBL14234808 | 0.81 | NPC1 (0.33) | — | |
| SCHEMBL14234803 | 0.81 | — | — | |
| SCHEMBL14234203 | 0.80 | BUB1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9414588-B2 | Herbicide composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-08-16 | — | — | US | disclosed |
| US-20150289505-A1 | HERBICIDE COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-10-15 | — | — | 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 |