⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13416751 | 1.00 | — | — | |
| SCHEMBL6892190 | 1.00 | — | — | |
| SCHEMBL21087582 | 0.88 | TSHR (0.32) | — | |
| SCHEMBL18287430 | 0.85 | — | — | |
| SCHEMBL24246228 | 0.80 | — | — | |
| SCHEMBL13417334 | 0.78 | — | — | |
| SCHEMBL13416672 | 0.78 | — | — | |
| SCHEMBL10061100 | 0.78 | — | — | |
| SCHEMBL23335899 | 0.76 | — | — | |
| SCHEMBL13416959 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11535576-B2 | Carbonyl containing compound high-throughput quantitative analysis using isobaric multiplex reagents | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2022-12-27 | — | — | US | disclosed |
| WO-2022106646-A1 | LACTAM AND LACTONE DERIVATIVES OF FORMULA (IA) FOR USE IN THE TREATMENT OF DISEASES CAUSED BY A CORONAVIRUS INFECTION AND/OR A VIRAL RESPIRATORY INFECTION | Université Catholique de Louvain (BE) | 2022-05-27 | — | — | WO | disclosed |
| US-20190225559-A1 | Isobaric Multiplex Reagents for Carbonyl Containing Compound High-Throughput Quantitative Analysis | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2019-07-25 | — | — | US | disclosed |
| US-20160356786-A1 | Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2016-12-08 | — | — | US | disclosed |
| US-9388132-B2 | Isobaric tandem mass tags for quantitative proteomics and peptidomics | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2016-07-12 | — | — | US | disclosed |
| US-20130078728-A1 | Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-03-28 | — | — | US | disclosed |
| WO-2011051672-A1 | AZAINDOLE DERIVATIVES | VANTIA LIMITED (GB) | 2011-05-05 | — | — | WO | disclosed |