⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7591758 | 1.00 | — | — | |
| SCHEMBL7591759 | 1.00 | — | — | |
| SCHEMBL17356122 | 0.75 | — | — | |
| SCHEMBL13741840 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL11719737 | 0.71 | — | — | |
| SCHEMBL30878516 | 0.69 | — | — | |
| SCHEMBL6871703 | 0.69 | — | — | |
| SCHEMBL22478684 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL6555443 | 0.69 | — | — | |
| SCHEMBL15710638 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2758051-B1 | CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-04-11 | — | — | EP | disclosed |
| EP-2758377-B1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-08-02 | — | — | EP | disclosed |
| US-9493441-B2 | Acyclic cyanoethylpyrazoles as janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-11-15 | — | — | US | disclosed |
| EP-2758050-B1 | ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-08-31 | — | — | EP | disclosed |
| US-9328099-B2 | Cyanomethylpyrazole carboxamides as janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-05-03 | — | — | US | disclosed |
| US-20140228358-A1 | ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| US-20140228348-A1 | CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |