⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24768960 | 0.83 | TLR9 (0.31) | — | |
| SCHEMBL25860565 | 0.74 | CNR2 (0.31) | — | |
| SCHEMBL23989421 | 0.73 | KCNH2 (0.33) | — | |
| SCHEMBL23990475 | 0.71 | KDM4C (0.33) | — | |
| SCHEMBL23989770 | 0.67 | PKM (0.34) | — | |
| SCHEMBL11967288 | 0.64 | ADRA1A (0.32) | — | |
| SCHEMBL22143989 | 0.63 | MAPK1 (0.53) | — | |
| SCHEMBL24768869 | 0.62 | — | — | |
| SCHEMBL17437938 | 0.62 | FLT1 (0.41) | — | |
| SCHEMBL25860655 | 0.62 | ADRA1A (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 |
|---|---|---|---|---|---|---|---|
| US-11702422-B2 | Imidazopyridazines as modulators of IL-17 | JANSSEN PHARMACEUTICA NV (BE) | 2023-07-18 | — | — | US | disclosed |