⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28062406 | 0.87 | TAAR1 (0.31) | — | |
| SCHEMBL21158761 | 0.86 | TSHR (0.35) | — | |
| SCHEMBL23542133 | 0.83 | HSD17B10 (0.39) | — | |
| SCHEMBL21126939 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL17723269 | 0.77 | — | — | |
| SCHEMBL22484292 | 0.76 | CA2 (0.31) | — | |
| SCHEMBL4471926 | 0.74 | — | — | |
| SCHEMBL12417282 | 0.74 | — | — | |
| SCHEMBL14175036 | 0.74 | — | — | |
| SCHEMBL15699400 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2011130390-A1 | 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES | RIGEL PHARMACEUTICALS, INC. (US) | 2011-10-20 | — | — | WO | disclosed |
| WO-2011062853-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-05-26 | — | — | WO | disclosed |
| WO-2007047496-A2 | ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2007-04-26 | — | — | WO | disclosed |