⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7287099 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL7287103 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL9109723 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL17178086 | 0.69 | — | — | |
| SCHEMBL11794881 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL9432212 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL10565859 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL10565853 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL11792753 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL498419 | 0.62 | NAAA (0.40) | — |
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-3750910-A1 | TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV Healthcare UK(No.4) Limited (GB) | 2020-12-16 | — | — | EP | disclosed |