⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6794548 | 0.82 | — | — | |
| SCHEMBL460089 | 0.79 | CDC7 (0.39) | — | |
| SCHEMBL4265887 | 0.78 | CDC7 (0.31) | — | |
| SCHEMBL4260846 | 0.77 | SIGMAR1 (0.36) | — | |
| SCHEMBL4271996 | 0.76 | CHRNB2 (0.31) | — | |
| SCHEMBL12804482 | 0.75 | MAPKAPK2 (0.32) | — | |
| SCHEMBL6792481 | 0.75 | PTGER1 (0.32) | — | |
| SCHEMBL4446430 | 0.75 | — | — | |
| SCHEMBL6793213 | 0.73 | SIGMAR1 (0.35) | — | |
| SCHEMBL6797558 | 0.72 | NAMPT (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040127492-A1 | Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 | PHARMACIA CORPORATION | 2004-07-01 | — | — | US | claimed |