⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6791559 | 0.86 | MAPKAPK2 (0.32) | — | |
| SCHEMBL6798081 | 0.85 | MAPKAPK2 (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL6794758 | 0.84 | KDM1A (0.34) | — | |
| SCHEMBL4260060 | 0.80 | ALPL (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL6791557 | 0.75 | MAPKAPK2 (0.33) | — | |
| SCHEMBL4270927 | 0.74 | MAPKAPK2 (0.41) | — | |
| SCHEMBL6794644 | 0.72 | MAOA (0.38) | — | |
| SCHEMBL4255914 | 0.70 | — | — | |
| SCHEMBL6792527 | 0.70 | SIGMAR1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL6795002 | 0.69 | SIGMAR1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040127492-A1 | Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 | PHARMACIA CORPORATION | 2004-07-01 | — | — | US | claimed |
| US-20040127492-A1 | Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 | PHARMACIA CORPORATION | 2004-07-01 | — | — | US | disclosed |