⚠ 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 | |
|---|---|---|---|---|
| Glycidol SCHEMBL15367861 | 0.86 | — | — | |
| Glycidol SCHEMBL16040784 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL8640451 | 0.83 | ALDH1A1 (0.39) | — | |
| Glycidol SCHEMBL27585942 | 0.83 | — | — | |
| Glycidol SCHEMBL16040324 | 0.83 | — | — | |
| Glycidol SCHEMBL8375576 | 0.83 | ALDH1A1 (0.44) | — | |
| Glycidol SCHEMBL377563 | 0.83 | — | — | |
| Glycidol SCHEMBL15684 | 0.83 | — | — | |
| Glycidol SCHEMBL2014115 | 0.83 | ALDH1A1 (0.44) | — | |
| Glycidol SCHEMBL377640 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1883801-A | Synthesis of MCM-48 supported Ti complex catalyst and its catalytic performance for allyl alcohol epoxidation | RES CT ECO ENVIRONMENTAL SCIEN (CN) | 2006-12-27 | — | — | CN | disclosed |