⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31194320 | 0.81 | — | — | |
| SCHEMBL7290307 | 0.78 | — | — | |
| SCHEMBL4231821 | 0.75 | — | — | |
| SCHEMBL17814787 | 0.72 | — | — | |
| SCHEMBL14378659 | 0.71 | — | — | |
| SCHEMBL12580979 | 0.71 | — | — | |
| SCHEMBL8035293 | 0.71 | — | — | |
| SCHEMBL16449292 | 0.71 | — | — | |
| SCHEMBL14366320 | 0.71 | — | — | |
| SCHEMBL8035302 | 0.71 | — | — |
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-109563025-B | Quaternary ammonium compound and suppression of formation of volatile organic compound derived from polyacetal by using same | 旭化成株式会社 | 2021-07-23 | — | — | CN | disclosed |