⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12343886 | 0.75 | — | — | |
| SCHEMBL999971 | 0.75 | — | — | |
| SCHEMBL20052861 | 0.73 | — | — | |
| SCHEMBL8060494 | 0.73 | — | — | |
| SCHEMBL8074568 | 0.73 | — | — | |
| SCHEMBL1685414 | 0.73 | — | — | |
| SCHEMBL6722151 | 0.71 | — | — | |
| SCHEMBL10850045 | 0.69 | — | — | |
| Potassium Ion SCHEMBL10850514 | 0.69 | — | — | |
| SCHEMBL7928848 | 0.67 | — | — |
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-1771453-B1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |