⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12757808 | 1.00 | — | — | |
| SCHEMBL18810537 | 1.00 | — | — | |
| SCHEMBL18810538 | 0.87 | — | — | |
| SCHEMBL14602700 | 0.80 | — | — | |
| SCHEMBL13994794 | 0.78 | — | — | |
| SCHEMBL17721096 | 0.77 | — | — | |
| SCHEMBL1077483 | 0.75 | — | — | |
| SCHEMBL22704939 | 0.75 | — | — | |
| SCHEMBL18120024 | 0.71 | — | — | |
| SCHEMBL14499099 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7897635-B2 | HIV protease inhibitors | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2011-03-01 | — | — | US | disclosed |
| US-20070082883-A1 | HIV protease inhibitors | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2007-04-12 | — | — | US | disclosed |
| US-7157489-B2 | HIV protease inhibitors | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2007-01-02 | — | — | US | disclosed |