⚠ 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 | |
|---|---|---|---|---|
| Sulfurous Acid SCHEMBL28143686 | 0.95 | — | — | |
| Sulfurous Acid SCHEMBL58955 | 0.80 | — | — | |
| Sulfurous Acid SCHEMBL3617504 | 0.80 | CA1 (0.60) | — | |
| Formic Acid SCHEMBL6684167 | 0.78 | ALDH1A1 (0.38) | — | |
| Formic Acid SCHEMBL11248324 | 0.78 | ALDH1A1 (0.38) | — | |
| Sulfurous Acid SCHEMBL3990309 | 0.78 | CA1 (1.00) | — | |
| Formic Acid SCHEMBL6682610 | 0.78 | ALDH1A1 (0.38) | — | |
| Formic Acid SCHEMBL1331809 | 0.78 | — | — | |
| Sulfurous Acid SCHEMBL3181 | 0.78 | — | — | |
| Formic Acid SCHEMBL181555 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2009115-A2 | Methods and nucleic acids for analyses of cellular proliferative disorders | Epigenomics AG (DE) | 2008-12-31 | — | — | EP | disclosed |