⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL443701 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28238704 | 0.97 | MAPK1 (0.37) | — | |
| Piperazine SCHEMBL27764865 | 0.87 | SMN1; SMN2 (0.32) | — | |
| Tetrabuthylammonium SCHEMBL27576313 | 0.82 | SLC22A1 (0.43) | — | |
| SCHEMBL4667979 | 0.81 | — | — | |
| SCHEMBL9651396 | 0.81 | CA2 (0.56) | — | |
| SCHEMBL28767907 | 0.81 | MAPK1 (0.40) | — | |
| SCHEMBL28446413 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL28380029 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL16790654 | 0.79 | — | — |
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-112334165-A | Stabilized hyaluronic acid | 克罗马药品有限责任公司 | 2021-02-05 | — | — | CN | disclosed |