⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3864515 | 1.00 | — | — | |
| SCHEMBL3282070 | 0.75 | — | — | |
| SCHEMBL92927 | 0.73 | — | — | |
| SCHEMBL721536 | 0.73 | — | — | |
| SCHEMBL5956236 | 0.73 | — | — | |
| SCHEMBL18006799 | 0.73 | — | — | |
| SCHEMBL7854798 | 0.73 | — | — | |
| SCHEMBL8815215 | 0.69 | — | — | |
| SCHEMBL13387854 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL3807232 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3694846-A1 | 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS | Gilead Sciences, Inc. (US) | 2020-08-19 | — | — | EP | disclosed |
| 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 |