⚠ 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 | |
|---|---|---|---|---|
| Butanal SCHEMBL448248 | 0.94 | ALDH1A1 (0.75) | — | |
| Butanal SCHEMBL3515924 | 0.94 | ALDH1A1 (0.75) | — | |
| Butanal SCHEMBL2182916 | 0.94 | — | — | |
| Butanal SCHEMBL11736874 | 0.90 | — | — | |
| Butanal SCHEMBL10448612 | 0.87 | — | — | |
| Butanal SCHEMBL597713 | 0.87 | ALDH1A1 (1.00) | — | |
| Butanal SCHEMBL7323870 | 0.87 | — | — | |
| Butanal SCHEMBL9303364 | 0.87 | ALDH1A1 (1.00) | — | |
| Butanal SCHEMBL807 | 0.87 | — | — | |
| Butanal SCHEMBL6441925 | 0.86 | ALDH1A1 (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106947516-A | A kind of catalytic slurry modifying agent | 中国石油化工股份有限公司 | 2017-07-14 | — | — | CN | disclosed |
| WO-2001028960-A1 | A RECOMBINANT URUSHI LACQUER AND A PROCESS FOR PREPARING THE SAME | KIM WOO SHIK (KR) | 2001-04-26 | — | — | WO | disclosed |