⚠ 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 SCHEMBL28005642 | 0.88 | ALDH1A1 (0.31) | — | |
| Methoxyacetic Acid SCHEMBL28005611 | 0.88 | — | — | |
| Methoxyacetic Acid SCHEMBL28005610 | 0.86 | — | — | |
| SCHEMBL28817857 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL28817963 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL3128099 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL28968852 | 0.78 | DRD2 (0.32) | — | |
| Water SCHEMBL28472684 | 0.78 | — | — | |
| Iodide SCHEMBL28337083 | 0.78 | — | — | |
| Bromide SCHEMBL28334870 | 0.78 | — | — |
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-104837801-A | Onium salt, liquid composition containing onium salt and cellulose, and cellulose recovery method | KOEI CHEMICAL CO | 2015-08-12 | — | — | CN | disclosed |