⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL8328017 | 0.84 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL28189096 | 0.84 | ALDH1A1 (0.60) | — | |
| Isopropyl Alcohol SCHEMBL564847 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL7913112 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL28474990 | 0.82 | — | — | |
| Ethylene Glycol SCHEMBL11854547 | 0.80 | TDP1 (0.50) | — | |
| Isobutanol SCHEMBL2456014 | 0.80 | TSHR (0.82) | — | |
| Ethylene Glycol SCHEMBL28270084 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL10609284 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL28217610 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2679569-B1 | METHOD FOR PREPARING A GLYCOL MONO-TERTIARY-BUTYLETHER COMPOUND | DAELIM IND CO LTD (KR) | 2017-08-02 | — | — | EP | claimed |