⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19424071 | 0.78 | — | — | |
| SCHEMBL20216144 | 0.78 | — | — | |
| SCHEMBL19117753 | 0.72 | — | — | |
| SCHEMBL22820870 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL12831357 | 0.69 | — | — | |
| SCHEMBL10643014 | 0.69 | CES2 (0.32) | — | |
| SCHEMBL18931793 | 0.69 | CES2 (0.32) | — | |
| SCHEMBL10643011 | 0.69 | CES2 (0.32) | — | |
| SCHEMBL23265970 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL18737291 | 0.67 | — | — |
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-2014285-B1 | NPYY5 antagonists | SHIONOGI & CO (JP) | 2010-05-05 | — | — | EP | disclosed |