⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14610024 | 0.81 | ALDH1A1 (0.60) | — | |
| SCHEMBL20079257 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL178472 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL27410295 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL26719233 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL21661508 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL24010080 | 0.69 | KDM4E (0.39) | — | |
| SCHEMBL21660830 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL12138460 | 0.69 | — | — | |
| SCHEMBL13165399 | 0.67 | SAT1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024019995-A1 | QUINOXALINEDIONE AND PYRIDO [2, 3-B]PYRAZINE-2, 3-DIONE B CELL LYMPHOMA 6 (BCL6) DEGRADERS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2024-01-25 | — | — | WO | disclosed |
| US-20230131260-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2023-04-27 | — | — | US | disclosed |
| EP-3728237-B1 | SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2022-02-09 | — | — | EP | disclosed |
| US-20200315174-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2020-10-08 | — | — | US | disclosed |