⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11518869 | 0.79 | — | — | |
| SCHEMBL7830347 | 0.77 | — | — | |
| SCHEMBL11468929 | 0.75 | — | — | |
| SCHEMBL2123571 | 0.71 | — | — | |
| SCHEMBL13799019 | 0.69 | — | — | |
| SCHEMBL29204873 | 0.69 | — | — | |
| SCHEMBL9500567 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL30759501 | 0.67 | — | — | |
| SCHEMBL25521631 | 0.67 | — | — | |
| SCHEMBL28044211 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2670765-B1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO 4) LTD (GB) | 2017-10-18 | — | — | EP | disclosed |