⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7081593 | 0.83 | — | — | |
| SCHEMBL13966187 | 0.79 | — | — | |
| SCHEMBL4587036 | 0.72 | — | — | |
| SCHEMBL5148714 | 0.72 | — | — | |
| SCHEMBL17256651 | 0.72 | KDM4E (0.41) | — | |
| SCHEMBL1324567 | 0.71 | — | — | |
| SCHEMBL31050072 | 0.70 | — | — | |
| SCHEMBL289921 | 0.69 | — | — | |
| Methyl Alcohol SCHEMBL867267 | 0.69 | — | — | |
| Hydrogen Peroxide SCHEMBL8356290 | 0.69 | EGLN1 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1525481-A2 | SELECTIVE BINDING AND ANALYSIS OF MACROMOLECULES: QUANTITATIVE ANALYSIS OF PROTEINS IN COMPLEX MIXTURES | Shimadzu Research Laboratory (Europe) Ltd. (GB) | 2005-04-27 | — | — | EP | disclosed |
| WO-2003102592-A2 | SELECTIVE BINDING AND ANALYSIS OF MACROMOLECULES: QUANTITATIVE ANALYSIS OF PROTEINS IN COMPLEX MIXTURES | SHIMADZU RESEARCH LABORATORY (EUROPE) LIMITED (GB) | 2003-12-11 | — | — | WO | disclosed |