⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL292853 | 0.80 | — | — | |
| SCHEMBL430949 | 0.76 | — | — | |
| SCHEMBL1289421 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL419805 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL31341969 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL431029 | 0.69 | — | — | |
| SCHEMBL15966191 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL8319543 | 0.67 | — | — | |
| SCHEMBL5579 | 0.67 | — | — | |
| SCHEMBL9939446 | 0.67 | — | — |
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-20120009581-A1 | Gene Expression Profiling for Predicting the Survivability of Prostate Cancer Subjects | JOSEPH F. FINN, JR., C/O FINN, WARNKE & GAYTON | 2012-01-12 | — | — | US | disclosed |