⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20154100 | 0.76 | TRPV4 (0.32) | — | |
| SCHEMBL5063692 | 0.76 | HPGD (0.35) | — | |
| SCHEMBL10183529 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL12443524 | 0.73 | — | — | |
| SCHEMBL21718740 | 0.71 | — | — | |
| SCHEMBL16768038 | 0.71 | — | — | |
| SCHEMBL17045312 | 0.71 | PI4KA (0.30) | — | |
| SCHEMBL21720592 | 0.71 | — | — | |
| SCHEMBL1106139 | 0.68 | — | — | |
| SCHEMBL22380336 | 0.67 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220202780-A1 | PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF | ESSA PHARMA INC. (CA) | 2022-06-30 | — | — | US | disclosed |