⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL357764 | 0.75 | — | — | |
| SCHEMBL918559 | 0.75 | — | — | |
| SCHEMBL12304882 | 0.74 | — | — | |
| SCHEMBL8080723 | 0.74 | — | — | |
| SCHEMBL4501635 | 0.71 | CTSD (0.38) | — | |
| SCHEMBL15906055 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL2794458 | 0.71 | TSHR (0.50) | — | |
| SCHEMBL10559949 | 0.69 | GFER (0.34) | — | |
| SCHEMBL11557170 | 0.69 | — | — | |
| Sulfuric Acid SCHEMBL7960678 | 0.69 | GDA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013040863-A1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-03-28 | — | — | WO | disclosed |