⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19631023 | 0.70 | SLC6A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9004810 | 0.56 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9004807 | 0.56 | MEN1 (0.33) | — | |
| SCHEMBL14431962 | 0.55 | — | — | |
| SCHEMBL19098711 | 0.55 | — | — | |
| SCHEMBL19004551 | 0.55 | SLC6A4 (0.34) | — | |
| SCHEMBL14156116 | 0.54 | ALDH1A1 (0.36) | — | |
| SCHEMBL9005145 | 0.54 | ALDH1A1 (0.40) | — | |
| SCHEMBL8755107 | 0.54 | ALDH1A1 (0.40) | — | |
| SCHEMBL9004832 | 0.54 | ALDH1A1 (0.40) | — |
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-2023066204-A1 | SIK INHIBITOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海美悦生物科技发展有限公司 | 2023-04-27 | — | — | WO | disclosed |