⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11045266 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL10454609 | 0.78 | — | — | |
| SCHEMBL5467078 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL1703310 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL10325471 | 0.74 | — | — | |
| SCHEMBL18095935 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL18095943 | 0.74 | — | — | |
| SCHEMBL20088835 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL22611876 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL22611875 | 0.74 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2440047-A1 | BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES | Dow Global Technologies LLC (US) | 2012-04-18 | — | — | EP | claimed |
| WO-2010144511-A1 | BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-12-16 | — | — | WO | claimed |
| US-20130255516-A1 | METHOD OF MAKING PLANOGRAPHIC PRINTING PLATE AND PLANOGRAPHIC PRINTING PLATE | FUJIFILM CORPORATION (JP) | 2013-10-03 | — | — | US | disclosed |
| EP-0206173-A1 | Production of dibromonitro compound | PERMACHEM ASIA, LTD. (JP) | 1986-12-30 | — | — | EP | disclosed |