⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28976540 | 0.80 | — | — | |
| SCHEMBL10006267 | 0.76 | GRM2 (0.41) | — | |
| SCHEMBL8055193 | 0.74 | — | — | |
| SCHEMBL6900756 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL17971805 | 0.71 | — | — | |
| SCHEMBL24994507 | 0.70 | EPHX2 (0.35) | — | |
| SCHEMBL21439966 | 0.69 | GRM2 (0.38) | — | |
| SCHEMBL8051944 | 0.69 | — | — | |
| SCHEMBL1705937 | 0.66 | — | — | |
| SCHEMBL30107046 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115884810-A | Imidazopyridazines as IL-17 modulators | 詹森药业有限公司 | 2023-03-31 | — | — | CN | disclosed |