⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9974855 | 0.95 | — | — | |
| SCHEMBL28803801 | 0.87 | — | — | |
| SCHEMBL11273713 | 0.74 | — | — | |
| SCHEMBL19987635 | 0.74 | — | — | |
| SCHEMBL15197858 | 0.74 | — | — | |
| SCHEMBL25414551 | 0.69 | — | — | |
| SCHEMBL13463046 | 0.69 | — | — | |
| SCHEMBL19353697 | 0.68 | — | — | |
| SCHEMBL21276617 | 0.68 | OR51E2 (0.33) | — | |
| SCHEMBL22908386 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |