⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13733999 | 0.77 | KDM4E (0.37) | — | |
| SCHEMBL23196358 | 0.77 | GLP1R (0.33) | — | |
| SCHEMBL23195815 | 0.72 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL23196010 | 0.70 | CDK4 (0.36) | — | |
| SCHEMBL13734929 | 0.69 | CDK1 (0.38) | — | |
| SCHEMBL23196357 | 0.68 | MAPK8 (0.60) | — | |
| SCHEMBL23196386 | 0.65 | MAPK8 (0.39) | — | |
| SCHEMBL13734259 | 0.64 | MAPK8 (0.48) | — | |
| SCHEMBL14658038 | 0.60 | AURKA (0.44) | — | |
| SCHEMBL31504543 | 0.58 | KMT2A (0.44) | — |
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-2021063207-A1 | JNK INHIBITOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 武汉朗来科技发展有限公司 | 2021-04-08 | — | — | WO | disclosed |