⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2323097 | 1.00 | — | — | |
| SCHEMBL2326208 | 1.00 | — | — | |
| SCHEMBL2360808 | 0.79 | METAP2 (0.30) | — | |
| SCHEMBL2361211 | 0.79 | METAP2 (0.30) | — | |
| SCHEMBL2359147 | 0.79 | METAP2 (0.30) | — | |
| SCHEMBL2325868 | 0.77 | CTSS (0.34) | — | |
| SCHEMBL2325866 | 0.77 | CTSS (0.34) | — | |
| SCHEMBL4972764 | 0.70 | — | — | |
| SCHEMBL5048357 | 0.69 | CTSS (0.32) | — | |
| SCHEMBL5048364 | 0.69 | CTSS (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2081927-B1 | PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-08-17 | — | — | EP | claimed |
| US-20090318501-A1 | Piperidine derivatives as renin inhibitors | VITAE PHARMACEUTICALS, INC. | 2009-12-24 | — | — | US | claimed |
| EP-2081927-B1 | PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-08-17 | — | — | EP | disclosed |