⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL192502 | 1.00 | — | — | |
| Ether SCHEMBL1052108 | 0.87 | ALDH1A1 (0.40) | — | |
| Ethylene Glycol SCHEMBL5612095 | 0.84 | TSHR (0.33) | — | |
| Ethylene Glycol SCHEMBL9436952 | 0.84 | TSHR (0.33) | — | |
| Ethylene Glycol SCHEMBL27425654 | 0.84 | TSHR (0.33) | — | |
| Ethylene Glycol SCHEMBL7887914 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL246315 | 0.83 | — | — | |
| SCHEMBL1301219 | 0.83 | — | — | |
| SCHEMBL246314 | 0.83 | — | — | |
| Triethylene Glycol SCHEMBL15361674 | 0.82 | MEN1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2024973-A2 | A METHOD OF PRINTING ON OPTICAL DISCS | Sun Chemical Corporation (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007131098-A2 | A METHOD OF PRINTING ON OPTICAL DISCS | SUN CHEMICAL CORPORATION (US) | 2007-11-15 | — | — | WO | disclosed |