⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13451612 | 1.00 | — | — | |
| SCHEMBL5670925 | 1.00 | — | — | |
| SCHEMBL2785652 | 0.80 | MCL1 (0.40) | — | |
| SCHEMBL97236 | 0.80 | — | — | |
| SCHEMBL17617093 | 0.80 | — | — | |
| SCHEMBL24286776 | 0.79 | ATM (0.38) | — | |
| Hydrochloric Acid SCHEMBL11001835 | 0.78 | — | — | |
| SCHEMBL16486600 | 0.78 | — | — | |
| SCHEMBL14242984 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL9925424 | 0.77 | MCL1 (0.42) | — |
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-7619092-B2 | Piperidine compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-11-17 | — | — | US | disclosed |
| US-7619092-B2 | Piperidine compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-11-17 | — | — | US | disclosed |