⚠ 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 | |
|---|---|---|---|---|
| Acrylonitrile SCHEMBL10939334 | 0.63 | — | — | |
| Acrylonitrile SCHEMBL10782212 | 0.60 | — | — | |
| SCHEMBL20317 | 0.59 | — | — | |
| SCHEMBL6913000 | 0.59 | — | — | |
| SCHEMBL10550667 | 0.59 | — | — | |
| SCHEMBL50067 | 0.59 | — | — | |
| Acrylonitrile SCHEMBL25225022 | 0.58 | — | — | |
| SCHEMBL251311 | 0.56 | — | — | |
| Acrylonitrile SCHEMBL1331891 | 0.56 | — | — | |
| SCHEMBL14860612 | 0.56 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863803-A2 | SUBSTITUTED PIPERIDINES | Speedel Experimenta AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006103277-A2 | 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | SPEEDEL EXPERIMENTA AG (CH) | 2006-10-05 | — | — | WO | disclosed |