⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21985567 | 0.81 | — | — | |
| SCHEMBL22702079 | 0.75 | GAA (0.39) | — | |
| SCHEMBL23620711 | 0.68 | ADH1B (0.34) | — | |
| SCHEMBL19630169 | 0.68 | ADH1B (0.30) | — | |
| SCHEMBL17227557 | 0.68 | — | — | |
| SCHEMBL16024490 | 0.67 | — | — | |
| SCHEMBL20387048 | 0.67 | — | — | |
| SCHEMBL1678408 | 0.67 | — | — | |
| SCHEMBL22167714 | 0.67 | — | — | |
| SCHEMBL12477576 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2019075291-A1 | 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2019-04-18 | — | — | WO | disclosed |