⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25027411 | 0.71 | — | — | |
| SCHEMBL581659 | 0.67 | — | — | |
| SCHEMBL17185586 | 0.67 | — | — | |
| SCHEMBL5400654 | 0.67 | — | — | |
| SCHEMBL24746897 | 0.67 | — | — | |
| SCHEMBL1723546 | 0.67 | — | — | |
| SCHEMBL28290360 | 0.67 | — | — | |
| SCHEMBL15554953 | 0.64 | — | — | |
| SCHEMBL27392337 | 0.63 | — | — | |
| SCHEMBL6064377 | 0.62 | — | — |
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-3150592-A1 | ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF | Beijing Pearl Biotechnology Limited Liability Company (CN) | 2017-04-05 | — | — | EP | disclosed |