⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5884292 | 0.77 | SLC6A3 (0.35) | — | |
| SCHEMBL791669 | 0.77 | — | — | |
| SCHEMBL21962502 | 0.77 | — | — | |
| SCHEMBL1878770 | 0.76 | SLC6A3 (0.37) | — | |
| SCHEMBL14624293 | 0.76 | SLC6A3 (0.43) | — | |
| SCHEMBL1990600 | 0.76 | — | — | |
| SCHEMBL4979897 | 0.75 | — | — | |
| SCHEMBL958545 | 0.75 | — | — | |
| SCHEMBL12964193 | 0.75 | RAB9A (0.41) | — | |
| Hydrochloric Acid SCHEMBL4780449 | 0.73 | RAB9A (0.60) | — |
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-4129987-A1 | CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES | Shanghai Hansoh Biomedical Co., Ltd. (CN) | 2023-02-08 | — | — | EP | disclosed |
| WO-2021197452-A1 | CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES | 上海翰森生物医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |