⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18685659 | 0.71 | — | — | |
| SCHEMBL9290255 | 0.70 | — | — | |
| SCHEMBL13909535 | 0.66 | GAA (0.46) | — | |
| SCHEMBL21163102 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL15128838 | 0.64 | NFKB1 (0.38) | — | |
| Alpha-Phellandrene SCHEMBL159519 | 0.63 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL22497679 | 0.63 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL159518 | 0.63 | USP2 (0.32) | — | |
| SCHEMBL21611272 | 0.61 | — | — | |
| SCHEMBL19311801 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1249233-B9 | NPYY5 ANTAGONISTS | SHIONOGI & CO (JP) | 2009-08-05 | — | — | EP | disclosed |
| EP-1249233-B1 | NPYY5 ANTAGONISTS | SHIONOGI & CO (JP) | 2008-08-20 | — | — | EP | disclosed |