⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL843520 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28188888 | 0.86 | — | — | |
| Fluoride SCHEMBL28017058 | 0.86 | — | — | |
| SCHEMBL8380684 | 0.62 | — | — | |
| SCHEMBL28204324 | 0.60 | — | — | |
| SCHEMBL8385757 | 0.57 | — | — | |
| Tert-Butylamine SCHEMBL28161497 | 0.55 | — | — | |
| Chloromethane SCHEMBL27600288 | 0.53 | — | — | |
| Hydroxyamine SCHEMBL29610721 | 0.52 | — | — | |
| SCHEMBL79834 | 0.52 | — | — |
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-108752726-A | A kind of novel antibacterial EVA expanded materials and preparation method thereof | 福建三盛实业有限公司 | 2018-11-06 | — | — | CN | disclosed |