⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1275692 | 0.67 | — | — | |
| SCHEMBL11301005 | 0.67 | — | — | |
| SCHEMBL9068681 | 0.67 | — | — | |
| SCHEMBL3923125 | 0.61 | — | — | |
| SCHEMBL4230365 | 0.61 | — | — | |
| SCHEMBL31425678 | 0.61 | — | — | |
| SCHEMBL6979 | 0.61 | — | — | |
| SCHEMBL3866609 | 0.59 | — | — | |
| SCHEMBL247312 | 0.58 | — | — | |
| SCHEMBL17284546 | 0.56 | — | — |
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-106565921-B | A kind of nanometer of polycarboxylate water-reducer and preparation method thereof | 江苏苏博特新材料股份有限公司 | 2019-04-30 | — | — | CN | disclosed |