⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20433798 | 1.00 | — | — | |
| SCHEMBL22340611 | 0.72 | — | — | |
| SCHEMBL22433146 | 0.67 | — | — | |
| SCHEMBL22433149 | 0.67 | — | — | |
| SCHEMBL13580722 | 0.67 | — | — | |
| SCHEMBL6278270 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL9314763 | 0.64 | — | — | |
| SCHEMBL22433148 | 0.63 | — | — | |
| SCHEMBL22433150 | 0.63 | — | — | |
| SCHEMBL22433147 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2772480-B2 | HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2020-12-09 | — | — | EP | disclosed |
| EP-2772480-B1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2018-05-23 | — | — | EP | disclosed |