⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18211906 | 0.85 | — | — | |
| SCHEMBL12208464 | 0.77 | — | — | |
| SCHEMBL24736446 | 0.77 | — | — | |
| SCHEMBL20153222 | 0.75 | — | — | |
| SCHEMBL24378705 | 0.73 | ATM (0.32) | — | |
| SCHEMBL2887259 | 0.73 | — | — | |
| SCHEMBL24322204 | 0.71 | GLB1 (0.38) | — | |
| SCHEMBL22566104 | 0.71 | — | — | |
| SCHEMBL20070941 | 0.70 | — | — | |
| SCHEMBL14418048 | 0.69 | ALDH1A1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024009283-A1 | AT2 ANTAGONISTS FOR NON-ADDICTIVE PAIN RELIEF | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2024-01-11 | — | — | WO | disclosed |
| WO-2023138362-A1 | WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF | 江苏天士力帝益药业有限公司 | 2023-07-27 | — | — | WO | disclosed |