⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3409575 | 0.71 | — | — | |
| SCHEMBL9851864 | 0.69 | — | — | |
| SCHEMBL3222504 | 0.69 | — | — | |
| SCHEMBL3222497 | 0.69 | — | — | |
| SCHEMBL10705483 | 0.69 | — | — | |
| SCHEMBL24030342 | 0.67 | — | — | |
| SCHEMBL29156958 | 0.65 | — | — | |
| SCHEMBL12729994 | 0.65 | — | — | |
| SCHEMBL16408973 | 0.63 | — | — | |
| SCHEMBL16407500 | 0.63 | PGR (0.30) | — |
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-2009135299-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-11-12 | — | — | WO | disclosed |