⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15931277 | 1.00 | — | — | |
| SCHEMBL15916808 | 0.93 | — | — | |
| SCHEMBL9108376 | 0.89 | NR1H4 (0.50) | — | |
| SCHEMBL15947454 | 0.89 | NR1H4 (0.50) | — | |
| SCHEMBL19488277 | 0.89 | — | — | |
| SCHEMBL18124322 | 0.89 | — | — | |
| SCHEMBL12698055 | 0.89 | — | — | |
| SCHEMBL18124321 | 0.89 | — | — | |
| SCHEMBL18526275 | 0.89 | — | — | |
| SCHEMBL19458322 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140221361-A1 | C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) | 2014-08-07 | — | — | US | disclosed |