⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1785233 | 0.75 | — | — | |
| SCHEMBL1658376 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL1658378 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL1785234 | 0.75 | — | — | |
| SCHEMBL9091256 | 0.75 | — | — | |
| SCHEMBL16499618 | 0.73 | — | — | |
| SCHEMBL386214 | 0.72 | — | — | |
| SCHEMBL516702 | 0.72 | — | — | |
| SCHEMBL4031559 | 0.70 | — | — | |
| SCHEMBL10762423 | 0.70 | — | — |
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 |