⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1663114 | 0.85 | BRAF (0.31) | — | |
| SCHEMBL670455 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL16429868 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL27250548 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL1662613 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL28296311 | 0.68 | PHGDH (0.40) | — | |
| SCHEMBL12631516 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL27885737 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL1665386 | 0.67 | CA1 (0.33) | — | |
| SCHEMBL12631522 | 0.66 | SMN1; SMN2 (0.56) | — |
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 |