⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1160024 | 1.00 | — | — | |
| SCHEMBL24937985 | 0.83 | PLG (0.34) | — | |
| SCHEMBL20470393 | 0.79 | — | — | |
| SCHEMBL30085321 | 0.79 | — | — | |
| SCHEMBL28481201 | 0.78 | DPP4 (0.33) | — | |
| SCHEMBL12065386 | 0.78 | — | — | |
| SCHEMBL25741009 | 0.78 | — | — | |
| SCHEMBL21948335 | 0.78 | — | — | |
| SCHEMBL21961180 | 0.78 | — | — | |
| SCHEMBL62407 | 0.78 | DPP4 (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 |
|---|---|---|---|---|---|---|---|
| EP-2758377-B1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-08-02 | — | — | EP | disclosed |