⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25252685 | 0.70 | — | — | |
| SCHEMBL5163547 | 0.69 | — | — | |
| SCHEMBL587725 | 0.69 | — | — | |
| SCHEMBL3394248 | 0.69 | — | — | |
| SCHEMBL11968445 | 0.69 | TSHR (0.54) | — | |
| SCHEMBL34509 | 0.67 | — | — | |
| Ethylene SCHEMBL28036632 | 0.65 | — | — | |
| Water SCHEMBL3259208 | 0.65 | — | — | |
| SCHEMBL9420696 | 0.64 | — | — | |
| SCHEMBL28434975 | 0.64 | TSHR (0.42) | — |
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-106380548-B | Application of water-retention-reduction-type polycarboxylate superplasticizer in preparation of recycled aggregate concrete | 广东红墙新材料股份有限公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-106279566-B | Water-retaining shrinkage-reducing polycarboxylate superplasticizer and preparation method thereof | 广东红墙新材料股份有限公司 | 2020-07-03 | — | — | CN | disclosed |