⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4351221 | 0.79 | — | — | |
| SCHEMBL28275009 | 0.79 | — | — | |
| SCHEMBL1155642 | 0.78 | — | — | |
| SCHEMBL28731938 | 0.77 | — | — | |
| SCHEMBL3840421 | 0.77 | — | — | |
| SCHEMBL5411239 | 0.75 | — | — | |
| SCHEMBL28877661 | 0.74 | — | — | |
| SCHEMBL8513680 | 0.72 | — | — | |
| SCHEMBL31692787 | 0.72 | — | — | |
| SCHEMBL31477901 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105384379-B | A kind of white carbon modified polycarboxylic acid water reducer and preparation method thereof | 西安建筑科技大学 | 2017-06-09 | — | — | CN | claimed |
| CN-105384379-A | White carbon black modified polycarboxylic acid water reducer and preparation method thereof | UNIV XIAN ARCHITECTUR & TECH | 2016-03-09 | — | — | CN | claimed |
| CN-105384379-B | A kind of white carbon modified polycarboxylic acid water reducer and preparation method thereof | 西安建筑科技大学 | 2017-06-09 | — | — | CN | disclosed |
| CN-105384379-A | White carbon black modified polycarboxylic acid water reducer and preparation method thereof | UNIV XIAN ARCHITECTUR & TECH | 2016-03-09 | — | — | CN | disclosed |