⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL65253 | 0.73 | — | — | |
| SCHEMBL7854058 | 0.70 | — | — | |
| SCHEMBL7854271 | 0.67 | — | — | |
| SCHEMBL7851825 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL7852195 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL27327414 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL9823006 | 0.61 | — | — | |
| SCHEMBL9537843 | 0.61 | — | — | |
| SCHEMBL743899 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL9951681 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090118281-A1 | Amino Alcohol Derivatives And Their Use As Renin Inhibitor | NOVARTIS AG (CH) | 2009-05-07 | — | — | US | disclosed |