⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2354108 | 1.00 | — | — | |
| SCHEMBL20207389 | 0.77 | — | — | |
| SCHEMBL6625897 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL23997840 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL29197896 | 0.73 | — | — | |
| SCHEMBL29197893 | 0.73 | — | — | |
| SCHEMBL2349421 | 0.72 | BCHE (0.30) | — | |
| SCHEMBL24410520 | 0.70 | — | — | |
| SCHEMBL15321814 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL3944627 | 0.68 | — | — |
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-2020156271-A1 | JANUS KINASE (JAK) FAMILY INHIBITOR, PREPARATION OF SAME, AND APPLICATIONS THEREOF | 江苏威凯尔医药科技有限公司 | 2020-08-06 | — | — | WO | disclosed |