⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28793446 | 0.83 | — | — | |
| SCHEMBL11004183 | 0.83 | TSHR (0.57) | — | |
| SCHEMBL10956153 | 0.81 | — | — | |
| SCHEMBL5313852 | 0.80 | — | — | |
| SCHEMBL11388671 | 0.79 | TSHR (0.52) | — | |
| SCHEMBL28823934 | 0.79 | — | — | |
| SCHEMBL28883853 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL16019027 | 0.78 | — | — | |
| SCHEMBL13167911 | 0.78 | — | — | |
| SCHEMBL7159820 | 0.78 | — | — |
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-106163568-A | Antibody drug conjugates (ADC) containing spindle kinesin (KSP) | 拜耳制药股份公司 | 2016-11-23 | — | — | CN | disclosed |
| EP-2099747-A1 | RADIOLABELLING VIA FLUORINATION OF AZIRIDINES | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-09-16 | — | — | EP | disclosed |
| US-20090022664-A1 | Radiolabelling via fluorination of aziridines | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2009-01-22 | — | — | US | disclosed |
| WO-2008083729-A1 | RADIOLABELLING VIA FLUORINATION OF AZIRIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-07-17 | — | — | WO | disclosed |
| EP-1944288-A1 | Radiolabelling via fluorination of aziridines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2008-07-16 | — | — | EP | disclosed |