⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3343 | 0.87 | — | — | |
| SCHEMBL600739 | 0.87 | — | — | |
| SCHEMBL9521856 | 0.87 | — | — | |
| SCHEMBL30070825 | 0.82 | — | — | |
| SCHEMBL31452840 | 0.82 | — | — | |
| SCHEMBL30091103 | 0.82 | — | — | |
| Ethyne SCHEMBL7608975 | 0.82 | — | — | |
| SCHEMBL11894916 | 0.82 | — | — | |
| Water SCHEMBL9129608 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL11042021 | 0.82 | — | — |
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-113811333-B | Compounds targeting anti-cancer nuclear hormone receptors | 诺维逊生物股份有限公司 | 2024-03-12 | — | — | CN | disclosed |