⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12849680 | 0.79 | — | — | |
| SCHEMBL2742745 | 0.77 | — | — | |
| SCHEMBL6549394 | 0.77 | — | — | |
| SCHEMBL8579886 | 0.75 | — | — | |
| SCHEMBL28254075 | 0.74 | — | — | |
| SCHEMBL10432065 | 0.74 | NPSR1 (0.52) | — | |
| SCHEMBL1143799 | 0.74 | NPSR1 (0.52) | — | |
| SCHEMBL1143800 | 0.74 | NPSR1 (0.52) | — | |
| SCHEMBL18265467 | 0.72 | — | — | |
| SCHEMBL9117680 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008036216-A1 | PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-03-27 | — | — | WO | disclosed |