⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25469354 | 0.80 | — | — | |
| SCHEMBL24198390 | 0.79 | — | — | |
| SCHEMBL24197972 | 0.77 | MLYCD (0.33) | — | |
| SCHEMBL24198341 | 0.77 | — | — | |
| SCHEMBL24197995 | 0.77 | PDE4B (0.35) | — | |
| SCHEMBL10258880 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL24198351 | 0.75 | KDM4E (0.38) | — | |
| SCHEMBL10259326 | 0.73 | CHEK1 (0.35) | — | |
| SCHEMBL19222014 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL10259035 | 0.70 | POLB (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4180434-A1 | PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Sichuan Haisco Pharmaceutical Co., Ltd. (CN) | 2023-05-17 | — | — | EP | disclosed |
| WO-2022007966-A1 | PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川海思科制药有限公司 | 2022-01-13 | — | — | WO | disclosed |