⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1567518 | 0.87 | NPY5R (0.31) | — | |
| SCHEMBL15049873 | 0.76 | — | — | |
| SCHEMBL4079760 | 0.73 | — | — | |
| SCHEMBL4972999 | 0.73 | — | — | |
| SCHEMBL13567599 | 0.72 | — | — | |
| SCHEMBL15049751 | 0.70 | MGLL (0.30) | — | |
| SCHEMBL4071170 | 0.70 | NPY5R (0.34) | — | |
| SCHEMBL15049847 | 0.70 | PSEN1 (0.30) | — | |
| SCHEMBL3959489 | 0.70 | NPY5R (0.34) | — | |
| SCHEMBL4974850 | 0.70 | NPY5R (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074108-A1 | RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008036247-A1 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-03-27 | — | — | WO | disclosed |