⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35751 | 0.97 | — | — | |
| SCHEMBL28112122 | 0.94 | SLC22A6 (0.53) | — | |
| Ammonia Solution, Strong SCHEMBL9321596 | 0.94 | — | — | |
| SCHEMBL146945 | 0.94 | — | — | |
| SCHEMBL9321629 | 0.94 | — | — | |
| SCHEMBL28876876 | 0.84 | SLC22A6 (0.43) | — | |
| SCHEMBL9194259 | 0.75 | SLC22A6 (0.60) | — | |
| SCHEMBL7904650 | 0.73 | — | — | |
| SCHEMBL26981020 | 0.73 | SLC22A6 (0.50) | — | |
| SCHEMBL112368 | 0.69 | SLC22A6 (1.00) | — |
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-111349180-A | Synthesis method of carboxymethyl-hydroxyethyl cellulose salt | 重庆理工大学 | 2020-06-30 | — | — | CN | disclosed |