⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13310197 | 0.87 | — | — | |
| SCHEMBL12533114 | 0.72 | — | — | |
| SCHEMBL13073935 | 0.68 | — | — | |
| SCHEMBL14362697 | 0.67 | — | — | |
| SCHEMBL25565629 | 0.67 | — | — | |
| SCHEMBL10157906 | 0.64 | CA1 (0.33) | — | |
| SCHEMBL13862934 | 0.62 | — | — | |
| SCHEMBL16689076 | 0.62 | CA1 (0.38) | — | |
| SCHEMBL16689074 | 0.62 | CA1 (0.38) | — | |
| SCHEMBL27672482 | 0.62 | CA1 (0.38) | — |
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 |