⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15381044 | 0.77 | — | — | |
| SCHEMBL14857212 | 0.73 | REN (0.31) | — | |
| SCHEMBL15107620 | 0.72 | — | — | |
| SCHEMBL15049751 | 0.70 | MGLL (0.30) | — | |
| SCHEMBL13503038 | 0.70 | CTSK (0.38) | — | |
| SCHEMBL13503034 | 0.70 | CTSK (0.38) | — | |
| SCHEMBL15049873 | 0.68 | — | — | |
| SCHEMBL13503039 | 0.68 | — | — | |
| SCHEMBL13567598 | 0.68 | — | — | |
| SCHEMBL15107699 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2074108-B3 | RENIN INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2013-06-26 | — | — | EP | disclosed |