⚠ 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 | |
|---|---|---|---|---|
| Acetophenone SCHEMBL1450855 | 1.00 | — | — | |
| Acetophenone SCHEMBL30537000 | 1.00 | — | — | |
| Acetophenone SCHEMBL27462873 | 1.00 | MAPT (0.71) | — | |
| Acetophenone SCHEMBL719033 | 1.00 | MAPT (0.71) | — | |
| Acetophenone SCHEMBL737 | 1.00 | — | — | |
| Acetophenone SCHEMBL30537005 | 1.00 | — | — | |
| Acetophenone SCHEMBL11876785 | 0.97 | MAPT (0.68) | — | |
| Acetophenone SCHEMBL11354178 | 0.97 | MAPT (0.68) | — | |
| Acetophenone SCHEMBL1404141 | 0.97 | MAPT (0.68) | — | |
| Acetophenone SCHEMBL4356164 | 0.97 | MAPT (0.68) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114075138-A | Stable isotope labeled difenzoquat and synthetic method thereof | 上海安谱实验科技股份有限公司 | 2022-02-22 | — | — | CN | claimed |
| CN-114075138-A | Stable isotope labeled difenzoquat and synthetic method thereof | 上海安谱实验科技股份有限公司 | 2022-02-22 | — | — | CN | disclosed |
| CN-114075138-A | Stable isotope labeled difenzoquat and synthetic method thereof | 上海安谱实验科技股份有限公司 | 2022-02-22 | — | — | CN | disclosed |
| US-9347948-B2 | Phenyl glyoxal probes | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-05-24 | — | — | US | disclosed |
| US-20150148259-A1 | NOVEL PHENYL GLYOXAL PROBES | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED | 2015-05-28 | — | — | US | disclosed |