⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13370208 | 0.98 | — | — | |
| SCHEMBL19457169 | 0.72 | — | — | |
| SCHEMBL12674628 | 0.69 | — | — | |
| SCHEMBL9887337 | 0.69 | — | — | |
| SCHEMBL19337409 | 0.68 | — | — | |
| SCHEMBL19560431 | 0.67 | — | — | |
| SCHEMBL22606231 | 0.67 | — | — | |
| SCHEMBL17577901 | 0.64 | — | — | |
| SCHEMBL18945469 | 0.64 | — | — | |
| SCHEMBL12554671 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1037892-B1 | PIPERIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-10-06 | — | — | EP | disclosed |
| US-6166209-A | Piperidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2000-12-26 | — | — | US | disclosed |
| EP-1037892-A1 | PIPERIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999029696-A1 | PIPERIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1999-06-17 | — | — | WO | disclosed |