⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25759357 | 0.88 | — | — | |
| SCHEMBL15737600 | 0.78 | — | — | |
| SCHEMBL11548094 | 0.76 | — | — | |
| SCHEMBL13573014 | 0.76 | — | — | |
| SCHEMBL255264 | 0.73 | — | — | |
| SCHEMBL12138155 | 0.70 | — | — | |
| SCHEMBL11911025 | 0.70 | — | — | |
| SCHEMBL18194622 | 0.69 | — | — | |
| SCHEMBL24834701 | 0.66 | — | — | |
| SCHEMBL13722225 | 0.65 | — | — |
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-9808527-B2 | Methods and compositions for treating HIV infections | PURDUE RESEARCH FOUNDATION (US) | 2017-11-07 | — | — | US | disclosed |
| 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 |