⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23210447 | 0.78 | JAK2 (0.36) | — | |
| SCHEMBL15512802 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3795135 | 0.76 | ACHE (0.33) | — | |
| SCHEMBL1662545 | 0.73 | RXFP1 (0.44) | — | |
| SCHEMBL574538 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL15875416 | 0.71 | ACHE (0.43) | — | |
| SCHEMBL15651339 | 0.71 | CCNC (0.46) | — | |
| SCHEMBL17076750 | 0.71 | CCNC (0.46) | — | |
| SCHEMBL30962646 | 0.70 | ACHE (0.33) | — | |
| SCHEMBL15651247 | 0.70 | JAK2 (0.38) | — |
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-2491039-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | Cellzome Limited (GB) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011048082-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | CELLZOME LIMITED (GB) | 2011-04-28 | — | — | WO | disclosed |