⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15996249 | 0.81 | — | — | |
| SCHEMBL20055058 | 0.76 | — | — | |
| SCHEMBL17656256 | 0.76 | — | — | |
| SCHEMBL13070424 | 0.71 | CYP2D6 (0.32) | — | |
| SCHEMBL9549249 | 0.68 | HRH3 (0.33) | — | |
| SCHEMBL469149 | 0.67 | — | — | |
| SCHEMBL12715170 | 0.67 | — | — | |
| SCHEMBL12717142 | 0.67 | — | — | |
| Bromide SCHEMBL23528102 | 0.65 | KDM4E (0.35) | — | |
| SCHEMBL21599249 | 0.65 | CYP3A4 (0.37) | — |
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-3309157-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2018-04-18 | — | — | EP | disclosed |