⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8469724 | 1.00 | — | — | |
| SCHEMBL13093838 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL2878558 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL452544 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL12220663 | 0.79 | CA1 (0.42) | — | |
| SCHEMBL29096795 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL27302199 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL9577888 | 0.78 | MAPT (0.44) | — | |
| SCHEMBL9577891 | 0.78 | MAPT (0.44) | — | |
| SCHEMBL12890924 | 0.77 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116981658-A | Novel contrast agents for magnetic resonance imaging | 拜耳股份有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-111170828-B | Method for preparing methallyl alcohol using in situ generated Cu (I) catalyst | 浙江大学宁波理工学院 | 2023-01-03 | — | — | CN | disclosed |
| CN-111170828-A | Method for preparing methallyl alcohol using in situ generated Cu (I) catalyst | 浙江大学宁波理工学院 | 2020-05-19 | — | — | CN | disclosed |
| US-8476302-B2 | α-ketoamide derivatives useful endothelial lipase inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 2013-07-02 | — | — | US | disclosed |
| US-20120077847-A1 | ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-03-29 | — | — | US | disclosed |
| CN-101182306-B | Method for synthesizing intermediate of fexofenadine | UNIV CHONGQING | 2011-04-27 | — | — | CN | disclosed |
| US-20100267795-A1 | NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| US-20100267795-A1 | NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| US-20100267795-A1 | NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| EP-2217066-A1 | NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES | Syngenta Participations AG (CH) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009060173-A1 | NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-05-14 | — | — | WO | disclosed |
| WO-2009060173-A1 | NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-05-14 | — | — | WO | disclosed |
| CN-101182306-A | Method for synthesizing intermediate of fexofenadine | UNIV CHONGQING (CN) | 2008-05-21 | — | — | CN | disclosed |