⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10345878 | 0.77 | — | — | |
| SCHEMBL10346145 | 0.71 | — | — | |
| SCHEMBL10345922 | 0.71 | — | — | |
| SCHEMBL10346146 | 0.71 | — | — | |
| SCHEMBL10345934 | 0.68 | — | — | |
| SCHEMBL10346139 | 0.68 | — | — | |
| SCHEMBL10345851 | 0.64 | MEN1 (0.39) | — | |
| SCHEMBL10345919 | 0.64 | — | — | |
| SCHEMBL5109404 | 0.64 | — | — | |
| SCHEMBL13464859 | 0.64 | — | — |
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-9957264-B2 | Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-05-01 | — | — | US | disclosed |
| US-20160272632-A1 | GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-09-22 | — | — | US | disclosed |