⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11528303 | 1.00 | — | — | |
| SCHEMBL13346154 | 1.00 | — | — | |
| SCHEMBL15114885 | 1.00 | — | — | |
| SCHEMBL4504978 | 0.77 | — | — | |
| SCHEMBL7114778 | 0.76 | — | — | |
| SCHEMBL4799537 | 0.76 | — | — | |
| SCHEMBL363789 | 0.76 | — | — | |
| SCHEMBL4514620 | 0.75 | — | — | |
| SCHEMBL5924261 | 0.74 | — | — | |
| SCHEMBL8155745 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008133734-A2 | METHOD AND COMPOSITIONS FOR TREATING HIV INFECTIONS | PURDUE RESEARCH FOUNDATION (US) | 2008-11-06 | — | — | WO | disclosed |