⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25071383 | 0.85 | DRD2 (0.34) | — | |
| SCHEMBL24768402 | 0.81 | DRD2 (0.33) | — | |
| SCHEMBL25478383 | 0.70 | — | — | |
| SCHEMBL24858155 | 0.68 | IDH1 (0.35) | — | |
| SCHEMBL23990444 | 0.66 | MAPT (0.31) | — | |
| SCHEMBL22990982 | 0.65 | DRD2 (0.39) | — | |
| SCHEMBL11941344 | 0.65 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL1106198 | 0.65 | NPC1 (0.33) | — | |
| SCHEMBL22140330 | 0.63 | NPC1 (0.36) | — | |
| SCHEMBL22140412 | 0.63 | NPC1 (0.32) | — |
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 |