⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28232939 | 0.79 | — | — | |
| SCHEMBL923987 | 0.72 | — | — | |
| SCHEMBL28308403 | 0.70 | — | — | |
| SCHEMBL18366461 | 0.68 | — | — | |
| SCHEMBL21607798 | 0.68 | HCAR2 (0.31) | — | |
| SCHEMBL28200840 | 0.68 | FABP4 (0.31) | — | |
| SCHEMBL4278362 | 0.67 | HCAR2 (0.38) | — | |
| SCHEMBL13683075 | 0.67 | — | — | |
| SCHEMBL28258619 | 0.67 | NOTUM (0.40) | — | |
| SCHEMBL27730791 | 0.66 | — | — |
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-105061313-B | Androgen receptor modulating compounds | 奥赖恩公司 | 2017-07-18 | — | — | CN | disclosed |