⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL80286 | 0.78 | — | — | |
| SCHEMBL6468155 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL8517451 | 0.71 | — | — | |
| SCHEMBL788281 | 0.69 | — | — | |
| SCHEMBL9300559 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL9273830 | 0.66 | — | — | |
| SCHEMBL5791345 | 0.64 | — | — | |
| SCHEMBL20958120 | 0.64 | — | — | |
| SCHEMBL1878100 | 0.63 | — | — | |
| SCHEMBL1337335 | 0.63 | ODC1 (0.43) | — |
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-20090127454-A1 | BIOMARKERS USEFUL FOR DIAGNOSING PROSTATE CANCER, AND METHODS THEREOF | PHENOMENOME DISCOVERIES INC. (CA) | 2009-05-21 | — | — | US | disclosed |