⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5229202 | 0.91 | — | — | |
| SCHEMBL5230515 | 0.91 | DRD4 (0.30) | — | |
| SCHEMBL5226178 | 0.90 | AAK1 (0.31) | — | |
| SCHEMBL5225271 | 0.88 | DRD4 (0.34) | — | |
| SCHEMBL5227647 | 0.87 | F10 (0.33) | — | |
| SCHEMBL5227292 | 0.84 | — | — | |
| SCHEMBL5228480 | 0.84 | — | — | |
| SCHEMBL2904799 | 0.83 | KDM4E (0.37) | — | |
| SCHEMBL5224958 | 0.83 | — | — | |
| SCHEMBL5225931 | 0.81 | TP53 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |