⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL357968 | 0.81 | — | — | |
| SCHEMBL15916643 | 0.74 | NEK2 (0.30) | — | |
| SCHEMBL10079077 | 0.72 | — | — | |
| SCHEMBL90095 | 0.70 | — | — | |
| SCHEMBL23334430 | 0.69 | NEK2 (0.30) | — | |
| SCHEMBL1107068 | 0.67 | — | — | |
| SCHEMBL19969677 | 0.67 | — | — | |
| SCHEMBL20614748 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL21004352 | 0.65 | — | — | |
| SCHEMBL13321357 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022194237-A1 | QUINOLINE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF AUTOIMMUNE DRUG | 成都百裕制药股份有限公司 | 2022-09-22 | — | — | WO | disclosed |