⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9888600 | 1.00 | — | — | |
| SCHEMBL9888566 | 0.93 | GPBAR1 (0.59) | — | |
| SCHEMBL9110951 | 0.93 | GPBAR1 (0.59) | — | |
| SCHEMBL9888518 | 0.93 | — | — | |
| SCHEMBL9888525 | 0.91 | — | — | |
| SCHEMBL9105649 | 0.91 | — | — | |
| SCHEMBL9888487 | 0.89 | EGLN2 (0.48) | — | |
| SCHEMBL16510822 | 0.84 | GPBAR1 (0.60) | — | |
| SCHEMBL9888459 | 0.83 | — | — | |
| SCHEMBL9888601 | 0.83 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576585-B1 | MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-10-12 | — | — | EP | disclosed |
| US-8754068-B2 | Modified C-3 betulinic acid derivatives as HIV maturation inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-06-17 | — | — | US | disclosed |
| US-20120142707-A1 | MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-06-07 | — | — | US | disclosed |