⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4513076 | 1.00 | — | — | |
| SCHEMBL4052524 | 0.88 | GAA (0.33) | — | |
| SCHEMBL3931025 | 0.88 | GAA (0.32) | — | |
| SCHEMBL3942163 | 0.86 | — | — | |
| SCHEMBL3941704 | 0.86 | — | — | |
| SCHEMBL3941066 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL3937576 | 0.86 | HSD11B1 (0.32) | — | |
| SCHEMBL3931375 | 0.84 | GAA (0.32) | — | |
| SCHEMBL3931372 | 0.84 | GAA (0.32) | — | |
| SCHEMBL4047855 | 0.83 | CASP3 (0.31) | — |
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 4 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 |
| EP-2044059-A1 | 2,5-DISUBSTITUTED PIPERIDINES | Speedel Experimenta AG (CH) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007141318-A1 | 2,5-DISUBSTITUTED PIPERIDINES | SPEEDEL EXPERIMENTA AG (CH) | 2007-12-13 | — | — | WO | disclosed |