⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10381828 | 0.86 | ERCC5 (0.33) | — | |
| SCHEMBL10382385 | 0.84 | RAF1 (0.34) | — | |
| SCHEMBL10381443 | 0.80 | CYP2E1 (0.33) | — | |
| SCHEMBL10382317 | 0.78 | CYP2E1 (0.30) | — | |
| SCHEMBL10324262 | 0.74 | CYP2E1 (0.44) | — | |
| SCHEMBL9975879 | 0.73 | HPGD (0.31) | — | |
| SCHEMBL10366310 | 0.73 | CYP2E1 (0.38) | — | |
| SCHEMBL10382526 | 0.69 | CNR1 (0.34) | — | |
| SCHEMBL10324617 | 0.69 | CYP2E1 (0.47) | — | |
| SCHEMBL10383181 | 0.68 | GRM5 (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 |