⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8019674 | 0.78 | — | — | |
| SCHEMBL10928456 | 0.76 | — | — | |
| SCHEMBL17499833 | 0.76 | TDP1 (0.43) | — | |
| SCHEMBL7518595 | 0.74 | — | — | |
| SCHEMBL7517451 | 0.74 | — | — | |
| SCHEMBL7513255 | 0.74 | — | — | |
| SCHEMBL4854850 | 0.74 | — | — | |
| SCHEMBL28713719 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL2774167 | 0.73 | — | — | |
| SCHEMBL7520248 | 0.72 | — | — |
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-2021143613-A1 | POROUS BONE REPAIR MATERIAL AND PREPARATION METHOD THEREFOR | 北京诺康达医药科技股份有限公司 | 2021-07-22 | — | — | WO | disclosed |
| WO-2020238732-A1 | HETEROCYCLIC AMMONIUM POLYBENZIMIDAZOLE AND ANION EXCHANGE MEMBRANE, AND PREPARATION METHOD AND APPLICATION THEREOF | 大连理工大学 | 2020-12-03 | — | — | WO | disclosed |