⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3214909 | 0.80 | — | — | |
| Acrylamide SCHEMBL3392716 | 0.73 | — | — | |
| Acrylamide SCHEMBL9936680 | 0.73 | ALDH1A1 (0.79) | — | |
| SCHEMBL28629172 | 0.73 | ALDH1A1 (0.56) | — | |
| Acrylamide SCHEMBL35469 | 0.73 | ALDH1A1 (0.79) | — | |
| Acrylamide SCHEMBL679118 | 0.73 | ALDH1A1 (0.79) | — | |
| Acrylamide SCHEMBL10599012 | 0.73 | — | — | |
| SCHEMBL3620018 | 0.73 | — | — | |
| SCHEMBL2709588 | 0.73 | — | — | |
| Acrylamide SCHEMBL9304706 | 0.73 | ALDH1A1 (0.79) | — |
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-104812857-B | Hydrophilic coating agent | 大阪有机化学工业株式会社 | 2017-12-05 | — | — | CN | disclosed |
| CN-104812857-A | Hydrophilic coating agent | OSAKA ORGANIC CHEM IND | 2015-07-29 | — | — | CN | disclosed |