⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6118906 | 0.72 | — | — | |
| SCHEMBL312324 | 0.72 | — | — | |
| SCHEMBL1262340 | 0.72 | — | — | |
| SCHEMBL193842 | 0.71 | — | — | |
| SCHEMBL13499904 | 0.69 | HSP90AA1 (0.38) | — | |
| SCHEMBL20448761 | 0.67 | — | — | |
| SCHEMBL3955429 | 0.66 | P2RX7 (0.55) | — | |
| SCHEMBL4859450 | 0.65 | MAP4K4 (0.56) | — | |
| SCHEMBL2495212 | 0.65 | — | — | |
| SCHEMBL4717539 | 0.65 | APP (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 |
|---|---|---|---|---|---|---|---|
| WO-2008133344-A2 | PIPERIDINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-06 | — | — | WO | claimed |
| US-20080275085-A1 | Piperidine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-06 | — | — | US | claimed |
| WO-2008133344-A2 | PIPERIDINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-06 | — | — | WO | disclosed |
| US-20080275085-A1 | Piperidine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-06 | — | — | US | disclosed |