⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1331827 | 0.93 | — | — | |
| SCHEMBL109417 | 0.93 | — | — | |
| SCHEMBL337725 | 0.77 | — | — | |
| SCHEMBL165155 | 0.77 | — | — | |
| Bromoform SCHEMBL14988863 | 0.76 | — | — | |
| Dibromochloromethane SCHEMBL11344575 | 0.72 | — | — | |
| Carbon Tetrachloride SCHEMBL9012663 | 0.71 | TSHR (0.57) | — | |
| SCHEMBL320888 | 0.71 | — | — | |
| SCHEMBL21634006 | 0.71 | — | — | |
| Carbon Tetrachloride SCHEMBL382624 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6569902-B2 | Nitrone inhibition of cancer development | OKLAHOMA MEDICAL RESEARCH FOUNDATION | 2003-05-27 | — | — | US | disclosed |
| EP-1267860-A1 | BUTYLNITRONE CONTAINING COMPOSITIONS FOR INHIBITION OF CANCER DEVELOPMENT | Oklahoma Medical Research Foundation (US) | 2003-01-02 | — | — | EP | disclosed |
| US-20020004531-A1 | Nitrone inhibition of cancer development | OKLAHOMA MEDICAL RESEARCH FOUNDATION | 2002-01-10 | — | — | US | disclosed |
| WO-2001074349-A1 | BUTYLNITRONE CONTAINING COMPOSITONS FOR INHIBITION OF CANCER DEVELOPMENT | OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) | 2001-10-11 | — | — | WO | disclosed |