⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8039246 | 0.88 | — | — | |
| SCHEMBL10585520 | 0.64 | EPHX1 (0.42) | — | |
| SCHEMBL9619323 | 0.64 | EPHX1 (0.54) | — | |
| Ethylene Glycol SCHEMBL1876642 | 0.63 | — | — | |
| SCHEMBL4973274 | 0.62 | EPHX1 (0.41) | — | |
| SCHEMBL4582064 | 0.62 | — | — | |
| SCHEMBL1470443 | 0.62 | — | — | |
| SCHEMBL17222405 | 0.60 | — | — | |
| SCHEMBL13631801 | 0.57 | — | — | |
| SCHEMBL504534 | 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 2 patents. 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 |
| EP-0779289-A1 | SYNTHETIC LUBRICATING OIL | Kao Corporation (JP) | 1997-06-18 | — | — | EP | disclosed |