⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL845474 | 1.00 | — | — | |
| SCHEMBL19194964 | 0.79 | DPP4 (0.31) | — | |
| SCHEMBL21029649 | 0.78 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL17516290 | 0.76 | — | — | |
| SCHEMBL20748003 | 0.75 | — | — | |
| SCHEMBL20939896 | 0.75 | — | — | |
| SCHEMBL14357522 | 0.75 | — | — | |
| SCHEMBL22202384 | 0.75 | — | — | |
| SCHEMBL24239951 | 0.74 | — | — | |
| SCHEMBL25129794 | 0.72 | HTT (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2432555-A1 | N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS | Incyte Corporation (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135650-A1 | N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2010-11-25 | — | — | WO | disclosed |