⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL80872 | 0.83 | — | — | |
| SCHEMBL79594 | 0.80 | CYP3A4 (0.33) | — | |
| SCHEMBL28527648 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL28525796 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL5469923 | 0.75 | — | — | |
| SCHEMBL5473755 | 0.75 | — | — | |
| SCHEMBL79248 | 0.74 | — | — | |
| SCHEMBL80022 | 0.73 | USP2 (0.34) | — | |
| SCHEMBL3951641 | 0.73 | USP2 (0.34) | — | |
| SCHEMBL1426462 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120095034-A1 | PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2012-04-19 | — | — | US | disclosed |
| EP-2379550-A1 | PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | Glaxo Group Limited (GB) | 2011-10-26 | — | — | EP | disclosed |
| US-20110257198-A1 | PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2011-10-20 | — | — | US | disclosed |