⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27992586 | 0.85 | — | — | |
| SCHEMBL28129204 | 0.74 | — | — | |
| SCHEMBL13532276 | 0.63 | — | — | |
| SCHEMBL19133253 | 0.61 | — | — | |
| SCHEMBL19792132 | 0.61 | — | — | |
| SCHEMBL28149394 | 0.61 | — | — | |
| SCHEMBL10517267 | 0.61 | — | — | |
| Ethylene Glycol SCHEMBL3417647 | 0.58 | — | — | |
| SCHEMBL261738 | 0.57 | — | — | |
| SCHEMBL13121654 | 0.57 | — | — |
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-104583149-B | Cement composition additive comprising cross-linked polycarboxylic acid-based copolymer, and cement composition comprising same | LG化学株式会社 | 2017-03-22 | — | — | CN | claimed |