⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6460142 | 0.80 | — | — | |
| SCHEMBL6460139 | 0.80 | — | — | |
| SCHEMBL23265467 | 0.72 | — | — | |
| SCHEMBL16316909 | 0.72 | — | — | |
| SCHEMBL9944703 | 0.72 | — | — | |
| SCHEMBL20929818 | 0.70 | — | — | |
| SCHEMBL22704391 | 0.69 | CHRNB2 (0.32) | — | |
| SCHEMBL20031296 | 0.69 | CHRNB2 (0.32) | — | |
| SCHEMBL25071667 | 0.69 | CHRNB2 (0.32) | — | |
| SCHEMBL18647027 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018059314-A1 | AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2018-04-05 | — | — | WO | disclosed |