⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9975652 | 0.83 | KIT (0.37) | — | |
| SCHEMBL10324468 | 0.82 | GPR142 (0.31) | — | |
| SCHEMBL9975695 | 0.82 | CHRM5 (0.35) | — | |
| SCHEMBL9975823 | 0.82 | CHRM5 (0.42) | — | |
| SCHEMBL9975722 | 0.80 | GAA (0.41) | — | |
| SCHEMBL9975805 | 0.79 | AHR (0.31) | — | |
| SCHEMBL9975734 | 0.78 | NQO2 (0.41) | — | |
| SCHEMBL10324379 | 0.78 | NQO2 (0.41) | — | |
| SCHEMBL9975809 | 0.78 | MAPT (0.42) | — | |
| SCHEMBL9941773 | 0.78 | MAPK14 (0.38) | — |
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 |