⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27488043 | 0.82 | KCNQ2 (0.31) | — | |
| SCHEMBL647752 | 0.77 | USP2 (0.44) | — | |
| SCHEMBL27647485 | 0.76 | RIPK1 (0.33) | — | |
| SCHEMBL27650347 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL27637686 | 0.73 | RIPK1 (0.32) | — | |
| SCHEMBL28030208 | 0.73 | — | — | |
| SCHEMBL22999897 | 0.71 | USP2 (0.42) | — | |
| SCHEMBL648569 | 0.71 | CYP11B2 (0.41) | — | |
| SCHEMBL3409476 | 0.71 | CCR5 (0.38) | — | |
| SCHEMBL10092901 | 0.71 | USP2 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101874020-B | Piperidine derivatives as agonists of muscarinic receptors | ASTRAZENECA AB | 2012-11-07 | — | — | CN | disclosed |
| CN-101874020-A | Piperidine derivatives as agonists of muscarinic receptors | ASTRAZENECA AB | 2010-10-27 | — | — | CN | disclosed |