⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4255914 | 0.92 | — | — | |
| Trifluoroacetic Acid SCHEMBL6794251 | 0.90 | POLB (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL6794255 | 0.90 | POLB (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL6792239 | 0.88 | MAPKAPK2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL6792244 | 0.88 | MAPKAPK2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL4256992 | 0.87 | MAPKAPK2 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL4256994 | 0.87 | MAPKAPK2 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL4255917 | 0.84 | MAPKAPK2 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL4255911 | 0.84 | MAPKAPK2 (0.30) | — | |
| SCHEMBL6787697 | 0.84 | SRD5A1 (0.35) | — |
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 |