⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17538640 | 1.00 | — | — | |
| SCHEMBL17538673 | 1.00 | — | — | |
| SCHEMBL11789772 | 0.83 | LMNA (0.32) | — | |
| SCHEMBL11696890 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL23645839 | 0.81 | — | — | |
| SCHEMBL10079400 | 0.81 | — | — | |
| SCHEMBL2384600 | 0.77 | — | — | |
| SCHEMBL4544647 | 0.76 | MAPT (0.32) | — | |
| SCHEMBL18683565 | 0.76 | MAPT (0.32) | — | |
| SCHEMBL11283293 | 0.76 | MAPT (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023143399-A1 | STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 珂阑(上海)医药科技有限公司 | 2023-08-03 | — | — | WO | disclosed |
| EP-2625190-B1 | DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION | UNIV JUSTUS LIEBIG GIESSEN (DE) | 2021-07-14 | — | — | EP | disclosed |
| WO-2012051988-A2 | DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION | JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) | 2012-04-26 | — | — | WO | disclosed |