⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18629339 | 0.90 | — | — | |
| SCHEMBL10304617 | 0.90 | — | — | |
| SCHEMBL10303596 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL10007595 | 0.89 | — | — | |
| SCHEMBL18052010 | 0.86 | CDC7 (0.49) | — | |
| SCHEMBL18629383 | 0.86 | — | — | |
| SCHEMBL10303603 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL10007773 | 0.85 | — | — | |
| SCHEMBL10303599 | 0.81 | — | — | |
| SCHEMBL18629276 | 0.81 | — | — |
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-2442809-B1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMA (US) | 2016-08-31 | — | — | EP | disclosed |