⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3405616 | 0.95 | ABCC2 (0.51) | — | |
| SCHEMBL3406582 | 0.92 | ABCC2 (0.57) | — | |
| SCHEMBL3402336 | 0.90 | — | — | |
| SCHEMBL3813732 | 0.90 | — | — | |
| SCHEMBL3399838 | 0.90 | — | — | |
| SCHEMBL3399634 | 0.87 | ABCC2 (0.60) | — | |
| SCHEMBL3404858 | 0.86 | ABCC2 (0.51) | — | |
| SCHEMBL3403446 | 0.85 | — | — | |
| SCHEMBL3403562 | 0.85 | — | — | |
| SCHEMBL3400996 | 0.85 | ABCC2 (0.52) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2158199-B1 | PIPERIDINE COMPOUNDS AND USES THEREOF | ASTRAZENECA AB (SE) | 2010-11-17 | — | — | EP | claimed |