⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL301246 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL246874 | 0.94 | — | — | |
| SCHEMBL28045378 | 0.94 | — | — | |
| SCHEMBL6751047 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL11247301 | 0.94 | — | — | |
| Water SCHEMBL4468314 | 0.89 | — | — | |
| SCHEMBL3973719 | 0.89 | — | — | |
| Hydrogen Peroxide SCHEMBL7011640 | 0.89 | — | — | |
| Sulfurous Acid SCHEMBL11773849 | 0.89 | CA1 (0.67) | — | |
| SCHEMBL3973715 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108912261-A | A kind of Flame-retardant acrylic acid ester miniemulsion and preparation method thereof | 杭州传化精细化工有限公司 | 2018-11-30 | — | — | CN | disclosed |