⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9109417 | 0.89 | — | — | |
| SCHEMBL9891360 | 0.87 | NR1H4 (0.56) | — | |
| SCHEMBL16995378 | 0.86 | NR1H4 (0.52) | — | |
| SCHEMBL9106983 | 0.85 | NR1H4 (0.50) | — | |
| SCHEMBL16512032 | 0.85 | NR1H4 (0.49) | — | |
| SCHEMBL9106965 | 0.85 | NR1H4 (0.49) | — | |
| SCHEMBL9892733 | 0.85 | NR1H4 (0.53) | — | |
| SCHEMBL16995388 | 0.85 | NR1H4 (0.49) | — | |
| SCHEMBL16512006 | 0.85 | NR1H4 (0.49) | — | |
| SCHEMBL16995370 | 0.85 | NR1H4 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2576586-B1 | C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-08-12 | — | — | EP | disclosed |