⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16612064 | 0.86 | — | — | |
| SCHEMBL16612002 | 0.72 | — | — | |
| SCHEMBL1439785 | 0.65 | — | — | |
| SCHEMBL28393171 | 0.65 | — | — | |
| SCHEMBL17958893 | 0.65 | — | — | |
| SCHEMBL16612021 | 0.65 | — | — | |
| SCHEMBL98248 | 0.65 | — | — | |
| SCHEMBL519385 | 0.65 | — | — | |
| SCHEMBL519196 | 0.64 | — | — | |
| SCHEMBL16611385 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3209296-A1 | ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-08-30 | — | — | EP | disclosed |