⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11581910 | 0.76 | PRKCG (0.39) | — | |
| SCHEMBL24521429 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL19867649 | 0.67 | TDP2 (0.32) | — | |
| SCHEMBL25045629 | 0.63 | TGFBR1 (0.30) | — | |
| SCHEMBL16418564 | 0.60 | — | — | |
| SCHEMBL21962216 | 0.60 | — | — | |
| SCHEMBL24402229 | 0.60 | PARP1 (0.31) | — | |
| SCHEMBL16416075 | 0.60 | SLC2A1 (0.36) | — | |
| SCHEMBL16418525 | 0.60 | — | — | |
| SCHEMBL13259202 | 0.59 | KDM4E (0.41) | — |
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-3596072-B1 | PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2022-06-22 | — | — | EP | disclosed |