⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6661957 | 0.75 | OR51E2 (0.33) | — | |
| Ethylene Glycol SCHEMBL28888386 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL23829519 | 0.69 | — | — | |
| SCHEMBL10445688 | 0.69 | OR51E2 (0.30) | — | |
| SCHEMBL491554 | 0.69 | — | — | |
| SCHEMBL9551547 | 0.67 | — | — | |
| Water SCHEMBL3848206 | 0.67 | — | — | |
| SCHEMBL28832768 | 0.67 | — | — | |
| SCHEMBL14405677 | 0.67 | — | — | |
| SCHEMBL9051089 | 0.65 | LMNA (0.47) | — |
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-110204638-B | Polymer containing amino-oxy structure, formaldehyde adsorbent and preparation method of formaldehyde adsorbent | 青岛大学 | 2020-05-05 | — | — | CN | claimed |