⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27563487 | 0.90 | — | — | |
| SCHEMBL26870655 | 0.82 | — | — | |
| SCHEMBL27932085 | 0.78 | EPHX1 (0.48) | — | |
| SCHEMBL28185906 | 0.75 | EPHX1 (0.50) | — | |
| SCHEMBL27639655 | 0.75 | EPHX1 (0.50) | — | |
| SCHEMBL14895039 | 0.74 | EPHX1 (0.54) | — | |
| SCHEMBL8089041 | 0.72 | — | — | |
| SCHEMBL5485166 | 0.72 | — | — | |
| SCHEMBL24938403 | 0.71 | CA12 (0.32) | — | |
| SCHEMBL15778131 | 0.70 | — | — |
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 |