⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8225039 | 1.00 | — | — | |
| SCHEMBL7992113 | 0.94 | — | — | |
| SCHEMBL8219594 | 0.94 | — | — | |
| SCHEMBL8225025 | 0.91 | — | — | |
| SCHEMBL8004307 | 0.91 | — | — | |
| SCHEMBL8004475 | 0.91 | — | — | |
| SCHEMBL4498325 | 0.89 | — | — | |
| SCHEMBL4498328 | 0.89 | — | — | |
| SCHEMBL4511682 | 0.87 | GSK3B (0.30) | — | |
| SCHEMBL8006480 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090306062-A1 | 2,5-Disubstituted Piperidines | NOVARTIS AG (CH) | 2009-12-10 | — | — | US | disclosed |
| WO-2009106599-A2 | SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS | NOVARTIS AG (CH) | 2009-09-03 | — | — | WO | disclosed |