⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8345303 | 1.00 | — | — | |
| SCHEMBL8344700 | 1.00 | — | — | |
| SCHEMBL18792819 | 1.00 | — | — | |
| SCHEMBL172565 | 0.86 | CHRM2 (0.34) | — | |
| SCHEMBL14374941 | 0.83 | — | — | |
| SCHEMBL18792948 | 0.83 | — | — | |
| SCHEMBL19594637 | 0.83 | — | — | |
| SCHEMBL24853753 | 0.82 | — | — | |
| SCHEMBL22704939 | 0.81 | — | — | |
| SCHEMBL1077483 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100113582-A1 | METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-05-06 | — | — | US | disclosed |
| US-7157489-B2 | HIV protease inhibitors | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2007-01-02 | — | — | US | disclosed |