⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17654278 | 0.55 | — | — | |
| SCHEMBL4933560 | 0.54 | — | — | |
| SCHEMBL9507426 | 0.53 | HRH1 (0.30) | — | |
| SCHEMBL4932940 | 0.53 | — | — | |
| SCHEMBL620794 | 0.53 | — | — | |
| SCHEMBL5821772 | 0.53 | — | — | |
| SCHEMBL794478 | 0.53 | — | — | |
| SCHEMBL22720891 | 0.51 | — | — | |
| SCHEMBL9803306 | 0.51 | HRH1 (0.62) | — | |
| SCHEMBL15383132 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2272858-A2 | HCV inhibitors comprising beta amino acids and their uses | Novartis AG (CH) | 2011-01-12 | — | — | EP | disclosed |