⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6793094 | 0.88 | HRH4 (0.36) | — | |
| SCHEMBL4263963 | 0.88 | CDK2 (0.36) | — | |
| SCHEMBL6793563 | 0.87 | — | — | |
| SCHEMBL1656586 | 0.86 | ROCK2 (0.34) | — | |
| SCHEMBL4255937 | 0.86 | NAMPT (0.32) | — | |
| SCHEMBL4263856 | 0.85 | ROCK2 (0.36) | — | |
| SCHEMBL4270594 | 0.85 | AURKA (0.31) | — | |
| SCHEMBL1658088 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL1658816 | 0.85 | ROCK2 (0.36) | — | |
| SCHEMBL1658076 | 0.85 | ROCK2 (0.36) | — |
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 |