⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2970867 | 0.69 | ABCB11 (0.30) | — | |
| SCHEMBL2970868 | 0.69 | ABCB11 (0.30) | — | |
| SCHEMBL12972564 | 0.66 | CYP19A1 (0.36) | — | |
| SCHEMBL18995744 | 0.65 | CNR2 (0.32) | — | |
| SCHEMBL18995677 | 0.64 | SMYD3 (0.38) | — | |
| SCHEMBL23905765 | 0.63 | — | — | |
| SCHEMBL18995792 | 0.63 | — | — | |
| SCHEMBL17802232 | 0.62 | MEN1 (0.38) | — | |
| SCHEMBL17802234 | 0.62 | MEN1 (0.38) | — | |
| SCHEMBL15039837 | 0.61 | MEN1 (0.33) | — |
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 |