⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20054453 | 0.77 | — | — | |
| SCHEMBL18650010 | 0.72 | — | — | |
| SCHEMBL21737510 | 0.67 | — | — | |
| SCHEMBL20910423 | 0.67 | — | — | |
| SCHEMBL21548062 | 0.61 | — | — | |
| SCHEMBL181825 | 0.61 | — | — | |
| SCHEMBL21029488 | 0.60 | — | — | |
| SCHEMBL24817654 | 0.59 | — | — | |
| SCHEMBL728987 | 0.59 | — | — | |
| SCHEMBL444663 | 0.59 | — | — |
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-3564240-A1 | PIPERIDINE INTERMEDIATES | Purdue Pharma L.P. (US) | 2019-11-06 | — | — | EP | disclosed |