⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21548813 | 0.91 | — | — | |
| SCHEMBL13659887 | 0.81 | — | — | |
| SCHEMBL9392933 | 0.81 | — | — | |
| SCHEMBL9392931 | 0.81 | — | — | |
| SCHEMBL15833467 | 0.77 | — | — | |
| SCHEMBL8083141 | 0.74 | — | — | |
| SCHEMBL8083138 | 0.74 | — | — | |
| SCHEMBL12798966 | 0.73 | — | — | |
| SCHEMBL17635472 | 0.72 | — | — | |
| SCHEMBL24363508 | 0.69 | KDM1A (0.48) | — |
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-2714036-B1 | SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS | ACHILLION PHARMACEUTICALS INC (US) | 2016-06-22 | — | — | EP | disclosed |