⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL834918 | 0.76 | — | — | |
| SCHEMBL57694 | 0.76 | — | — | |
| SCHEMBL4654372 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL4653007 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL9974853 | 0.69 | — | — | |
| SCHEMBL12654731 | 0.69 | — | — | |
| SCHEMBL2153461 | 0.69 | — | — | |
| SCHEMBL4654377 | 0.67 | TSHR (0.47) | — | |
| SCHEMBL4653003 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL6988532 | 0.67 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2976340-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-01-27 | — | — | EP | claimed |
| WO-2014146490-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-09-25 | — | — | WO | claimed |