⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7711619 | 0.72 | — | — | |
| SCHEMBL433506 | 0.69 | — | — | |
| SCHEMBL23701121 | 0.67 | — | — | |
| SCHEMBL27824131 | 0.67 | — | — | |
| Butane SCHEMBL13734588 | 0.65 | — | — | |
| SCHEMBL665762 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL5702793 | 0.57 | LMNA (0.31) | — | |
| SCHEMBL207046 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL20877167 | 0.57 | — | — | |
| SCHEMBL8382190 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116615245-A | Composition comprising a lipophilic compound and one or more (bio) alkanediols | 西姆莱斯股份公司 | 2023-08-18 | — | — | CN | disclosed |
| CN-116568267-A | Compositions comprising (bio) -alkanediol and cooling agent | 西姆莱斯股份公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-116528824-A | Composition comprising an ultraviolet filter and one or more (bio) -alkanediols | 西姆莱斯股份公司 | 2023-08-01 | — | — | CN | disclosed |