⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4757234 | 1.00 | — | — | |
| SCHEMBL3465851 | 1.00 | — | — | |
| SCHEMBL3465608 | 0.86 | PDE2A (0.35) | — | |
| SCHEMBL4756438 | 0.83 | PDE2A (0.32) | — | |
| SCHEMBL4756776 | 0.83 | PDE2A (0.32) | — | |
| SCHEMBL4754048 | 0.79 | BRD4 (0.30) | — | |
| SCHEMBL4756462 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL3465853 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL4757239 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL3770009 | 0.75 | HTR1D (0.36) | — |
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-1911762-A1 | Amino alcohols and their use as renin inhibitors | Speedel Experimenta AG (CH) | 2008-04-16 | — | — | EP | disclosed |