⚠ 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 | |
|---|---|---|---|---|
| Methoxyacetic Acid SCHEMBL28005610 | 0.84 | — | — | |
| SCHEMBL28005278 | 0.84 | KDM4E (0.30) | — | |
| SCHEMBL28141151 | 0.81 | — | — | |
| SCHEMBL18231721 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL3128099 | 0.77 | — | — | |
| SCHEMBL28059891 | 0.77 | POLB (0.34) | — | |
| Water SCHEMBL28472684 | 0.75 | — | — | |
| Iodide SCHEMBL28337083 | 0.75 | — | — | |
| Fluoride SCHEMBL28118589 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL27942867 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104837801-B | Onium salt, liquid composition containing onium salt and cellulose, and cellulose recovery method | 广荣化学工业株式会社 | 2017-05-24 | — | — | CN | disclosed |
| CN-104837801-A | Onium salt, liquid composition containing onium salt and cellulose, and cellulose recovery method | KOEI CHEMICAL CO | 2015-08-12 | — | — | CN | disclosed |