⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14234197 | 0.91 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL15944330 | 0.86 | — | — | |
| SCHEMBL15944304 | 0.84 | — | — | |
| SCHEMBL15944337 | 0.83 | — | — | |
| SCHEMBL15944338 | 0.81 | — | — | |
| SCHEMBL14235159 | 0.80 | — | — | |
| SCHEMBL15944303 | 0.80 | — | — | |
| SCHEMBL15944312 | 0.79 | — | — | |
| SCHEMBL15945560 | 0.79 | — | — | |
| SCHEMBL14234793 | 0.79 | — | — |
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 |