⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10846066 | 0.84 | — | — | |
| SCHEMBL19954454 | 0.83 | — | — | |
| SCHEMBL6127793 | 0.83 | — | — | |
| SCHEMBL138395 | 0.81 | — | — | |
| SCHEMBL10843305 | 0.78 | — | — | |
| SCHEMBL11086238 | 0.75 | — | — | |
| SCHEMBL13350957 | 0.75 | — | — | |
| SCHEMBL5033729 | 0.74 | — | — | |
| N,N'-Dinitrosopiperazine SCHEMBL2353649 | 0.73 | — | — | |
| SCHEMBL3262072 | 0.73 | — | — |
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-20080032382-A1 | Methods and compositions for degradation of nitroaromatic and nitramine pollutants | UNIVERSITY OF IOWA RESEARCH FOUNDATION | 2008-02-07 | — | — | US | disclosed |
| US-7214509-B2 | Methods and compositions for degradation of nitroaromatic and nitramine pollutants | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2007-05-08 | — | — | US | disclosed |
| US-20050054030-A1 | Methods and compositions for degradation of nitroaromatic and nitramine pollutants | UNIVERSITY OF IOWA RESEARCH FOUNDATION | 2005-03-10 | — | — | US | disclosed |
| WO-2005019136-A2 | METHODS AND COMPOSITIONS FOR DEGRADATION OF NITROAROMATIC AND NITRAMINE POLLUTANTS | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2005-03-03 | — | — | WO | disclosed |