⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28200625 | 0.79 | — | — | |
| SCHEMBL28856346 | 0.61 | — | — | |
| SCHEMBL2102831 | 0.61 | — | — | |
| SCHEMBL2100556 | 0.60 | USP2 (0.30) | — | |
| SCHEMBL7638963 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL27518636 | 0.59 | — | — | |
| SCHEMBL4448545 | 0.59 | NPSR1 (0.31) | — | |
| SCHEMBL12670055 | 0.58 | — | — | |
| SCHEMBL962364 | 0.56 | — | — | |
| SCHEMBL17778130 | 0.56 | GRIN2D (0.31) | — |
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-105339355-B | Novel CYP17 inhibitor/antiandrogen | 奥赖恩公司 | 2018-02-27 | — | — | CN | disclosed |