⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17689272 | 0.75 | INMT (0.38) | — | |
| SCHEMBL11665467 | 0.71 | ALDH1A1 (0.66) | — | |
| SCHEMBL11665470 | 0.71 | ALDH1A1 (0.66) | — | |
| SCHEMBL23937863 | 0.70 | — | — | |
| SCHEMBL12425172 | 0.70 | — | — | |
| SCHEMBL25943300 | 0.69 | INMT (0.37) | — | |
| Cyanide SCHEMBL30330027 | 0.69 | INMT (0.37) | — | |
| Nitromethane SCHEMBL28152400 | 0.69 | ALDH1A1 (0.62) | — | |
| SCHEMBL25477357 | 0.67 | MEN1 (0.38) | — | |
| SCHEMBL17897735 | 0.67 | MEN1 (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102985438-B | As the C-28 acid amides of the modified C-3 betulinic acid derivative of the ripe inhibitor of HIV | BRISTOL-MYERS SQUIBB CO. (US) | 2016-05-18 | — | — | CN | 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 |
| EP-2576586-A1 | C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-04-10 | — | — | EP | 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 |