⚠ 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 | |
|---|---|---|---|---|
| Acrylamide SCHEMBL28055247 | 0.87 | — | — | |
| Acrylamide SCHEMBL1332254 | 0.86 | — | — | |
| Acrylamide SCHEMBL3051 | 0.86 | — | — | |
| Acrylamide SCHEMBL1332245 | 0.86 | — | — | |
| Acrylamide SCHEMBL183292 | 0.86 | TSHR (1.00) | — | |
| Acrylamide SCHEMBL170034 | 0.86 | TSHR (1.00) | — | |
| Acrylamide SCHEMBL17627782 | 0.82 | — | — | |
| Acrylamide SCHEMBL20701874 | 0.82 | — | — | |
| Acrylamide SCHEMBL8940372 | 0.82 | ALDH1A1 (0.92) | — | |
| Acrylamide SCHEMBL22412946 | 0.82 | — | — |
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-109207532-A | The manufacturing method of acrylamide aqueous solution | 中国石油化工股份有限公司 | 2019-01-15 | — | — | CN | disclosed |
| CN-107920512-A | Composition in the form of a spray for combating insects acting as vector for tropical diseases | 大卫·托蒂拉德 | 2018-04-17 | — | — | CN | disclosed |