⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19986443 | 0.70 | BDKRB2 (0.31) | — | |
| SCHEMBL6136930 | 0.61 | PDE4D (0.34) | — | |
| SCHEMBL12016011 | 0.61 | BDKRB2 (0.41) | — | |
| SCHEMBL27800366 | 0.60 | PDE4D (0.34) | — | |
| Hydrochloric Acid SCHEMBL1563435 | 0.59 | PDE4D (0.33) | — | |
| SCHEMBL1563060 | 0.59 | PDE4D (0.36) | — | |
| SCHEMBL28211662 | 0.57 | KDM1A (0.44) | — | |
| SCHEMBL21736851 | 0.56 | PDE4D (0.35) | — | |
| SCHEMBL844637 | 0.56 | PDE4D (0.33) | — | |
| SCHEMBL2086898 | 0.56 | PNMT (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090088457-A1 | Primary Amines as Renin Inhibitors | ACTELION PHARMACEUTICALS, LTD. (CH) | 2009-04-02 | — | — | US | disclosed |
| EP-2029542-A2 | PRIMARY AMINES AS RENIN INHIBITORS | Actelion Pharmaceuticals Ltd. (CH) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007099509-A2 | PRIMARY AMINES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-09-07 | — | — | WO | disclosed |