⚠ 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 | |
|---|---|---|---|---|
| Sorbitol SCHEMBL8039090 | 0.93 | LMNA (0.39) | — | |
| Glycerin SCHEMBL8037486 | 0.89 | ALDH1A1 (0.35) | — | |
| Alcohol SCHEMBL6241581 | 0.86 | — | — | |
| SCHEMBL26107403 | 0.85 | — | — | |
| SCHEMBL272791 | 0.85 | — | — | |
| SCHEMBL30879507 | 0.85 | — | — | |
| SCHEMBL9316663 | 0.83 | — | — | |
| Fructose SCHEMBL8039087 | 0.83 | CYP2C9 (0.35) | — | |
| SCHEMBL26108523 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL1067841 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6096692-A | CYLIC KETALS AND ACDTALS HAVING HEAT AND OXIDATION RESISTANCE, ARE FREE FROM CARBOXYLIC ACIDS FORMING DUE TO HYDROLYSIS, LOW IN HYGROSCOPICITY, INEXPENSIVE, GOOD INSULATION AND COMPATIBLE WITH HYDROFLUOROCARBONS; WORKING FLUID REFRIGERANTS | KAO CORPORATION (JP) | 2000-08-01 | — | — | US | disclosed |