⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15931281 | 0.90 | — | — | |
| SCHEMBL15916731 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL15917689 | 0.89 | — | — | |
| SCHEMBL15933732 | 0.89 | — | — | |
| SCHEMBL12698130 | 0.89 | GPBAR1 (0.50) | — | |
| SCHEMBL12698029 | 0.89 | GPBAR1 (0.50) | — | |
| SCHEMBL12698214 | 0.89 | — | — | |
| SCHEMBL12698052 | 0.89 | — | — | |
| SCHEMBL19488279 | 0.88 | — | — | |
| SCHEMBL19458380 | 0.88 | — | — |
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 |