⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13895478 | 0.95 | TSHR (0.36) | — | |
| SCHEMBL13895477 | 0.95 | TSHR (0.36) | — | |
| SCHEMBL17689173 | 0.86 | TSHR (0.45) | — | |
| SCHEMBL14378380 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL21087406 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL13757715 | 0.76 | — | — | |
| SCHEMBL26219847 | 0.75 | — | — | |
| SCHEMBL6141173 | 0.75 | — | — | |
| SCHEMBL42956 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL9492835 | 0.74 | TSHR (0.50) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4289824-A1 | URACIL COMPOUND CONTAINING CARBOXYLATE FRAGMENT AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE | Jiangsu Flag Chemical Industry Co., Ltd. (CN) | 2023-12-13 | — | — | EP | disclosed |
| US-20230324801-A1 | UNDERLAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY, UNDERLAYER FILM, AND PATTERN FORMATION METHOD | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2023-10-12 | — | — | US | disclosed |
| US-9862682-B2 | Functionalized pegylated cyanine compounds, pharmaceutical compositions, and methods of use thereof | BroadPharm (US) | 2018-01-09 | — | — | US | disclosed |
| US-20170197916-A1 | FUNCTIONALIZED PEGYLATED CYANINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | BroadPharm (US) | 2017-07-13 | — | — | US | disclosed |
| US-20140079632-A1 | ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR | UNIVERSITEIT ANTWERPEN (BE) | 2014-03-20 | — | — | US | disclosed |
| EP-1517881-A1 | 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES | Syngenta Participations AG (CH) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004002943-A1 | 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2004-01-08 | — | — | WO | disclosed |