⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29013789 | 0.79 | — | — | |
| SCHEMBL22572819 | 0.77 | — | — | |
| SCHEMBL12247930 | 0.76 | — | — | |
| SCHEMBL30694983 | 0.76 | — | — | |
| SCHEMBL8276008 | 0.76 | — | — | |
| SCHEMBL3113108 | 0.75 | — | — | |
| SCHEMBL21557607 | 0.75 | — | — | |
| SCHEMBL13674733 | 0.75 | — | — | |
| SCHEMBL11556146 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL533350 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3143055-A2 | POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP | Bridgestone Corporation (JP) | 2017-03-22 | — | — | EP | claimed |
| WO-2015175280-A2 | POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP | BRIDGESTONE CORPORATION (JP) | 2015-11-19 | — | — | WO | claimed |
| EP-3143055-A2 | POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP | Bridgestone Corporation (JP) | 2017-03-22 | — | — | EP | disclosed |
| WO-2015175280-A2 | POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP | BRIDGESTONE CORPORATION (JP) | 2015-11-19 | — | — | WO | disclosed |
| EP-2132167-B1 | METHOD FOR THE PRODUCTION OF beta-KETONITRILES | BASF SE (DE) | 2013-12-25 | — | — | EP | disclosed |
| EP-2132167-A1 | METHOD FOR THE PRODUCTION OF -KETONITRILES | BASF SE (DE) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008107397-A1 | METHOD FOR THE PRODUCTION OF β-KETONITRILES | BASF SE (DE) | 2008-09-12 | — | — | WO | disclosed |