⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23451892 | 0.82 | — | — | |
| SCHEMBL7247343 | 0.78 | — | — | |
| SCHEMBL7502214 | 0.76 | — | — | |
| SCHEMBL16912138 | 0.76 | — | — | |
| SCHEMBL17044584 | 0.75 | — | — | |
| SCHEMBL5606635 | 0.73 | — | — | |
| SCHEMBL35082 | 0.73 | — | — | |
| SCHEMBL35146 | 0.73 | — | — | |
| SCHEMBL23451885 | 0.73 | — | — | |
| SCHEMBL9005258 | 0.71 | — | — |
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-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |