⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12896156 | 0.72 | CYP2C9 (0.37) | — | |
| SCHEMBL14348160 | 0.64 | FLT1 (0.34) | — | |
| SCHEMBL12896055 | 0.64 | CHRNB2 (0.38) | — | |
| SCHEMBL125543 | 0.63 | ALDH1A3 (0.64) | — | |
| SCHEMBL8370932 | 0.63 | ALDH1A1 (0.44) | — | |
| SCHEMBL12896071 | 0.62 | ALDH1A3 (0.35) | — | |
| SCHEMBL713041 | 0.62 | ALDH1A3 (0.35) | — | |
| SCHEMBL8811944 | 0.61 | — | — | |
| SCHEMBL24326416 | 0.60 | ALDH1A3 (0.34) | — | |
| SCHEMBL355299 | 0.60 | MAP4K4 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12024524-B2 | Imidazopyridazines as modulators of IL-17 | JANSSEN PHARMACEUTICA NV (BE) | 2024-07-02 | — | — | US | disclosed |
| US-20230357254-A1 | IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 | JANSSEN PHARMACEUTICA NV (BE) | 2023-11-09 | — | — | US | disclosed |