⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23989808 | 0.83 | TP53 (0.30) | — | |
| SCHEMBL30281196 | 0.79 | ABL1 (0.32) | — | |
| SCHEMBL30281185 | 0.76 | HDAC1 (0.31) | — | |
| SCHEMBL30281273 | 0.75 | CNR1 (0.32) | — | |
| SCHEMBL3473167 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL25745016 | 0.71 | — | — | |
| SCHEMBL12498978 | 0.71 | PDE4B (0.33) | — | |
| SCHEMBL30281277 | 0.71 | PTGS2 (0.37) | — | |
| SCHEMBL30281208 | 0.70 | PIK3CA (0.41) | — | |
| SCHEMBL30281146 | 0.68 | PIK3CA (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-4143195-A1 | IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 | Janssen Pharmaceutica NV (BE) | 2023-03-08 | — | — | EP | disclosed |