⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL4815898 | 0.80 | — | — | |
| Ether SCHEMBL347669 | 0.80 | — | — | |
| Ether SCHEMBL10951140 | 0.80 | ALDH1A1 (0.64) | — | |
| Alcohol SCHEMBL6440068 | 0.79 | — | — | |
| Ether SCHEMBL2256287 | 0.79 | ALDH1A1 (0.48) | — | |
| Ether SCHEMBL27781101 | 0.78 | ALDH1A1 (0.60) | — | |
| Methoxymethane SCHEMBL11126528 | 0.76 | — | — | |
| Propionaldehyde SCHEMBL28988974 | 0.76 | — | — | |
| Ether SCHEMBL7593160 | 0.76 | — | — | |
| Ether SCHEMBL2801167 | 0.75 | ALDH1A1 (0.56) | — |
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-6624331-B1 | Oxidization of 2-benzyloxyethanol using hypochlorous acid in the presence of nitroxy compounds such as 2,2,6,6- tetramethyl piperidinyl-1-oxy, to form chemical intermediates such as benzyloxyacetaldehyde | KURARAY CO., LTD. (JP) | 2003-09-23 | — | — | US | disclosed |
| EP-1170276-A1 | PROCESS FOR THE PREPARATION OF BENZYLOXYACETALDEHYDE | KURARAY CO., LTD. (JP) | 2002-01-09 | — | — | EP | disclosed |