⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24734765 | 0.77 | — | — | |
| SCHEMBL24772368 | 0.73 | NOS3 (0.31) | — | |
| SCHEMBL26720374 | 0.69 | CARM1 (0.31) | — | |
| SCHEMBL910156 | 0.69 | — | — | |
| SCHEMBL24771948 | 0.67 | CYP2D6 (0.37) | — | |
| SCHEMBL2855849 | 0.66 | HMGCR (0.32) | — | |
| SCHEMBL26720432 | 0.66 | — | — | |
| SCHEMBL13127045 | 0.66 | — | — | |
| SCHEMBL8380416 | 0.66 | — | — | |
| SCHEMBL8380419 | 0.66 | — | — |
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-2368877-B1 | Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection | VERTEX PHARMA (US) | 2014-05-07 | — | — | EP | disclosed |