⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1898916 | 0.71 | — | — | |
| SCHEMBL23748564 | 0.70 | — | — | |
| SCHEMBL10008807 | 0.70 | — | — | |
| SCHEMBL22023047 | 0.66 | — | — | |
| SCHEMBL1192557 | 0.61 | — | — | |
| SCHEMBL21573215 | 0.61 | — | — | |
| SCHEMBL1986240 | 0.61 | — | — | |
| SCHEMBL416473 | 0.61 | — | — | |
| SCHEMBL10175367 | 0.61 | — | — | |
| SCHEMBL24520168 | 0.61 | — | — |
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-116634990-A | Compositions comprising one or more (bio) -alkanediols with active ingredients | 西姆莱斯股份公司 | 2023-08-22 | — | — | CN | disclosed |