⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL27983223 | 0.84 | — | — | |
| Water SCHEMBL28070019 | 0.83 | — | — | |
| Butane SCHEMBL7375120 | 0.79 | — | — | |
| SCHEMBL11652897 | 0.78 | — | — | |
| SCHEMBL554 | 0.78 | — | — | |
| Acetonitrile SCHEMBL9937042 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL10416185 | 0.74 | — | — | |
| Phosphine SCHEMBL3705295 | 0.74 | — | — | |
| SCHEMBL115373 | 0.74 | — | — | |
| Bromide SCHEMBL29598571 | 0.74 | — | — |
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-106800738-A | A kind of use in washing machine antibiotic plastic and preparation method thereof | 浙江金海鸥电器有限公司 | 2017-06-06 | — | — | CN | disclosed |