⚠ 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 SCHEMBL28077429 | 1.00 | ALDH1A1 (0.92) | — | |
| Acrylamide SCHEMBL21525152 | 1.00 | ALDH1A1 (0.92) | — | |
| Acrylamide SCHEMBL1225106 | 1.00 | — | — | |
| Acrylamide SCHEMBL9848722 | 1.00 | ALDH1A1 (0.92) | — | |
| Acrylamide SCHEMBL2679162 | 0.96 | — | — | |
| Acrylamide SCHEMBL17685704 | 0.96 | ALDH1A1 (0.85) | — | |
| Acrylamide SCHEMBL28224765 | 0.96 | — | — | |
| Acrylamide SCHEMBL21001929 | 0.96 | — | — | |
| Acrylamide SCHEMBL4865873 | 0.96 | ALDH1A1 (0.85) | — | |
| Acrylamide SCHEMBL6703440 | 0.96 | — | — |
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-109339793-A | A kind of deep well grouting technique | 徐州荣创企业咨询管理有限公司 | 2019-02-15 | — | — | CN | disclosed |