⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1702949 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL20495364 | 0.75 | — | — | |
| SCHEMBL460015 | 0.69 | — | — | |
| SCHEMBL6355869 | 0.69 | — | — | |
| SCHEMBL9879405 | 0.68 | CPA1 (0.31) | — | |
| SCHEMBL92211 | 0.67 | — | — | |
| SCHEMBL459446 | 0.67 | — | — | |
| SCHEMBL8582392 | 0.67 | GSR (0.31) | — | |
| SCHEMBL1116806 | 0.67 | CPA1 (0.45) | — | |
| SCHEMBL2761532 | 0.67 | — | — |
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 |
| EP-2440047-A1 | BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES | Dow Global Technologies LLC (US) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010144511-A1 | BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-12-16 | — | — | WO | disclosed |