⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9891304 | 0.93 | — | — | |
| SCHEMBL9891309 | 0.92 | — | — | |
| SCHEMBL9891305 | 0.91 | RORC (0.60) | — | |
| SCHEMBL9891310 | 0.91 | RORC (0.52) | — | |
| SCHEMBL9891314 | 0.90 | RORC (0.58) | — | |
| SCHEMBL9891300 | 0.90 | RORC (0.50) | — | |
| SCHEMBL9891308 | 0.90 | RORC (0.54) | — | |
| SCHEMBL9891325 | 0.90 | RORC (0.53) | — | |
| SCHEMBL9891307 | 0.89 | RORC (0.62) | — | |
| SCHEMBL9108845 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120142653-A1 | C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-06-07 | — | — | US | disclosed |