⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9975863 | 0.81 | MAPT (0.32) | — | |
| SCHEMBL10382873 | 0.80 | PRKDC (0.31) | — | |
| SCHEMBL9975878 | 0.79 | HPGD (0.32) | — | |
| SCHEMBL19402966 | 0.78 | — | — | |
| SCHEMBL9941462 | 0.72 | ADRA2C (0.33) | — | |
| SCHEMBL10381953 | 0.72 | ADORA1 (0.33) | — | |
| SCHEMBL9975903 | 0.71 | MAPT (0.36) | — | |
| SCHEMBL10382425 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL10382029 | 0.69 | RAF1 (0.32) | — | |
| SCHEMBL9975777 | 0.68 | PTPRF (0.37) | — |
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-2012083105-A1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL DISCOVERY, INC. (US) | 2012-06-21 | — | — | WO | disclosed |