⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9106150 | 0.96 | — | — | |
| SCHEMBL9105234 | 0.93 | — | — | |
| SCHEMBL16511986 | 0.93 | — | — | |
| SCHEMBL9105975 | 0.93 | — | — | |
| SCHEMBL9108534 | 0.92 | — | — | |
| SCHEMBL9107873 | 0.92 | RORC (0.58) | — | |
| SCHEMBL9105182 | 0.92 | — | — | |
| SCHEMBL17755644 | 0.91 | — | — | |
| SCHEMBL9107680 | 0.91 | — | — | |
| SCHEMBL9892729 | 0.90 | RORC (0.52) | — |
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 5 patents. 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 |
| 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 |
| 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 |
| WO-2011153319-A1 | C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-12-08 | — | — | WO | disclosed |