⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18654465 | 0.84 | — | — | |
| SCHEMBL12162455 | 0.82 | — | — | |
| SCHEMBL21587656 | 0.76 | — | — | |
| SCHEMBL15508740 | 0.74 | — | — | |
| SCHEMBL26045743 | 0.74 | — | — | |
| SCHEMBL254577 | 0.71 | — | — | |
| SCHEMBL18911825 | 0.70 | — | — | |
| SCHEMBL25700521 | 0.70 | — | — | |
| SCHEMBL26634766 | 0.69 | S1PR4 (0.34) | — | |
| SCHEMBL22436111 | 0.69 | — | — |
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-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 |
| EP-3081569-A1 | IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEREOF IN PREPARATION OF MEDICAMENT | Medshine Discovery Inc. (CN) | 2016-10-19 | — | — | EP | disclosed |