⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10756127 | 0.83 | — | — | |
| SCHEMBL4820798 | 0.81 | — | — | |
| SCHEMBL4815998 | 0.81 | — | — | |
| SCHEMBL13393790 | 0.80 | MAOB (0.40) | — | |
| SCHEMBL18715291 | 0.80 | MAOB (0.57) | — | |
| SCHEMBL4816295 | 0.80 | — | — | |
| SCHEMBL4813628 | 0.79 | SLC6A3 (0.49) | — | |
| SCHEMBL4820026 | 0.78 | — | — | |
| SCHEMBL4810155 | 0.77 | SLC18A2 (0.50) | — | |
| SCHEMBL3716138 | 0.75 | MAOB (0.60) | — |
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-20040266824-A1 | 2,6-disubstituted piperidines and piperazine compounds | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION | 2004-12-30 | — | — | US | claimed |
| US-7368443-B2 | 2,6-disubstituted piperidines and piperazine compounds | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2008-05-06 | — | — | US | disclosed |
| US-20040266824-A1 | 2,6-disubstituted piperidines and piperazine compounds | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION | 2004-12-30 | — | — | US | disclosed |