⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9891263 | 0.94 | PRKCD (0.48) | — | |
| SCHEMBL9891265 | 0.90 | GPBAR1 (0.56) | — | |
| SCHEMBL16995363 | 0.89 | — | — | |
| SCHEMBL9891360 | 0.88 | NR1H4 (0.56) | — | |
| SCHEMBL9892762 | 0.87 | NR1H4 (0.51) | — | |
| SCHEMBL16995378 | 0.87 | NR1H4 (0.52) | — | |
| SCHEMBL9888459 | 0.87 | — | — | |
| SCHEMBL12698193 | 0.87 | — | — | |
| SCHEMBL9891336 | 0.87 | GPBAR1 (0.57) | — | |
| SCHEMBL9106983 | 0.87 | NR1H4 (0.50) | — |
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-8802661-B2 | C-28 amides of modified C-3 betulinic acid derivatives as HIV maturation inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-12 | — | — | US | disclosed |
| 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 |