⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4017 | 0.96 | — | — | |
| SCHEMBL21634571 | 0.93 | — | — | |
| SCHEMBL20954103 | 0.93 | — | — | |
| SCHEMBL28373565 | 0.93 | — | — | |
| SCHEMBL28311995 | 0.87 | CES2 (0.32) | — | |
| SCHEMBL28181415 | 0.84 | — | — | |
| Aluminum Chloride Anhydrous SCHEMBL28894009 | 0.84 | — | — | |
| SCHEMBL29185547 | 0.80 | — | — | |
| SCHEMBL27973397 | 0.80 | — | — | |
| SCHEMBL144267 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116514893-A | Steroid compound, preparation method and application thereof | 珂阑(上海)医药科技有限公司 | 2023-08-01 | — | — | CN | disclosed |