⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL968062 | 0.87 | — | — | |
| SCHEMBL7911656 | 0.80 | PIM1 (0.30) | — | |
| SCHEMBL2486687 | 0.72 | — | — | |
| SCHEMBL12575129 | 0.72 | LSS (0.31) | — | |
| SCHEMBL2485139 | 0.72 | — | — | |
| SCHEMBL968752 | 0.71 | — | — | |
| SCHEMBL968059 | 0.71 | — | — | |
| SCHEMBL968212 | 0.70 | — | — | |
| SCHEMBL2488930 | 0.70 | — | — | |
| SCHEMBL3230666 | 0.67 | JAK2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8344163-B2 | Nitrile compound and its use for control of arthropod pest | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-01-01 | — | — | US | disclosed |
| US-20110021627-A1 | NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-01-27 | — | — | US | disclosed |
| US-20110021627-A1 | NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-01-27 | — | — | US | disclosed |
| EP-2265569-A2 | NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST | Sumitomo Chemical Company, Limited (JP) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009116687-A2 | NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009116687-A2 | NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-09-24 | — | — | WO | disclosed |