⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11353109 | 1.00 | — | — | |
| SCHEMBL20992088 | 1.00 | — | — | |
| SCHEMBL14709123 | 1.00 | — | — | |
| SCHEMBL19285512 | 0.84 | — | — | |
| SCHEMBL21806770 | 0.84 | TSHR (0.43) | — | |
| SCHEMBL19284963 | 0.84 | — | — | |
| SCHEMBL9502830 | 0.84 | — | — | |
| SCHEMBL19285514 | 0.84 | — | — | |
| SCHEMBL13767632 | 0.84 | — | — | |
| SCHEMBL12454173 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200038404-A1 | METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE | INCYTE CORP (US) | 2020-02-06 | — | — | US | disclosed |
| US-10463667-B2 | Metabolites of the janus kinase inhibitor (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile | INCYTE INCORPORATION (US) | 2019-11-05 | — | — | US | disclosed |
| US-20170326144-A1 | METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE | INCYTE CORPORATION | 2017-11-16 | — | — | US | disclosed |