⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13122903 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL10147757 | 0.79 | PARP1 (0.31) | — | |
| SCHEMBL19364800 | 0.73 | XDH (0.40) | — | |
| SCHEMBL12777923 | 0.69 | SNCA (0.33) | — | |
| SCHEMBL10147755 | 0.69 | DYRK1A (0.42) | — | |
| SCHEMBL10147751 | 0.66 | PARP1 (0.31) | — | |
| SCHEMBL4815367 | 0.64 | PDGFRB (0.50) | — | |
| SCHEMBL9652879 | 0.61 | EGFR (0.33) | — | |
| SCHEMBL9606508 | 0.61 | XDH (0.41) | — | |
| SCHEMBL13122918 | 0.60 | HRH1 (0.47) | — |
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-20120076755-A1 | Hepatitis C Virus Inhibitors | ENANTA PHARMACEUTICALS, INC. | 2012-03-29 | — | — | US | disclosed |