⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1002390 | 0.79 | — | — | |
| SCHEMBL14561823 | 0.73 | — | — | |
| SCHEMBL5500542 | 0.73 | — | — | |
| SCHEMBL999926 | 0.73 | — | — | |
| SCHEMBL17089388 | 0.73 | — | — | |
| SCHEMBL16349843 | 0.71 | — | — | |
| SCHEMBL6279482 | 0.71 | — | — | |
| SCHEMBL2802381 | 0.69 | — | — | |
| SCHEMBL8712440 | 0.69 | — | — | |
| SCHEMBL31229943 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10399979-B2 | Janus kinase inhibitors and uses thereof | PURDUE RESEARCH FOUNDATION (US) | 2019-09-03 | — | — | US | disclosed |
| US-20190127377-A1 | JANUS KINASE INHIBITORS AND USES THEREOF | PURDUE RESEARCH FOUNDATION (US) | 2019-05-02 | — | — | US | disclosed |