⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4752878 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3648591 | 0.63 | — | — | |
| SCHEMBL9976677 | 0.58 | — | — | |
| SCHEMBL3451087 | 0.58 | — | — | |
| SCHEMBL5036848 | 0.57 | — | — | |
| SCHEMBL9145211 | 0.56 | ALDH1A1 (1.00) | — | |
| SCHEMBL9244226 | 0.56 | ALDH1A1 (1.00) | — | |
| SCHEMBL65108 | 0.56 | — | — | |
| SCHEMBL16755659 | 0.55 | — | — | |
| Thiouracil SCHEMBL3575471 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2004181-B3 | ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES | UNIV CALIFORNIA (US) | 2023-05-24 | — | — | EP | disclosed |