⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22593413 | 0.73 | PDE4A (0.40) | — | |
| SCHEMBL16372198 | 0.72 | — | — | |
| SCHEMBL1716067 | 0.72 | — | — | |
| SCHEMBL14044833 | 0.72 | — | — | |
| SCHEMBL12869537 | 0.70 | PDE4A (0.38) | — | |
| SCHEMBL22593366 | 0.69 | KDM4E (0.40) | — | |
| SCHEMBL19771737 | 0.69 | PDE4A (0.34) | — | |
| SCHEMBL22593415 | 0.69 | — | — | |
| SCHEMBL9806561 | 0.69 | PDE4A (0.45) | — | |
| SCHEMBL10757200 | 0.69 | PDE4A (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017123542-A1 | SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2017-07-20 | — | — | WO | disclosed |