⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4207469 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL5006028 | 0.75 | — | — | |
| SCHEMBL12915834 | 0.73 | — | — | |
| SCHEMBL24838564 | 0.71 | — | — | |
| SCHEMBL22681390 | 0.71 | — | — | |
| SCHEMBL6712785 | 0.71 | — | — | |
| SCHEMBL20469911 | 0.71 | — | — | |
| SCHEMBL2378733 | 0.69 | SLC7A5 (0.44) | — | |
| SCHEMBL2313046 | 0.69 | SLC7A5 (0.44) | — | |
| SCHEMBL27801898 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4393937-A1 | STEROID COMPOUND AND CONJUGATE THEREOF | Duality Biologics (Suzhou) Co., Ltd. (CN) | 2024-07-03 | — | — | EP | disclosed |