⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7994437 | 1.00 | — | — | |
| SCHEMBL13601256 | 0.94 | — | — | |
| SCHEMBL8006708 | 0.94 | — | — | |
| SCHEMBL4511682 | 0.91 | GSK3B (0.30) | — | |
| SCHEMBL8006713 | 0.89 | — | — | |
| SCHEMBL13601259 | 0.89 | — | — | |
| SCHEMBL4518451 | 0.85 | BACE1 (0.30) | — | |
| SCHEMBL4498328 | 0.84 | — | — | |
| SCHEMBL4498325 | 0.84 | — | — | |
| SCHEMBL8006480 | 0.84 | — | — |
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-20090306062-A1 | 2,5-Disubstituted Piperidines | NOVARTIS AG (CH) | 2009-12-10 | — | — | US | disclosed |
| US-20090306062-A1 | 2,5-Disubstituted Piperidines | NOVARTIS AG (CH) | 2009-12-10 | — | — | US | disclosed |
| US-20090306062-A1 | 2,5-Disubstituted Piperidines | NOVARTIS AG (CH) | 2009-12-10 | — | — | US | disclosed |