⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28185863 | 0.87 | MEN1 (0.46) | — | |
| SCHEMBL25767373 | 0.82 | — | — | |
| SCHEMBL17574435 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL500116 | 0.76 | — | — | |
| Ethylene Glycol SCHEMBL28129205 | 0.74 | — | — | |
| SCHEMBL19205997 | 0.73 | — | — | |
| SCHEMBL19205999 | 0.73 | — | — | |
| SCHEMBL17528454 | 0.73 | — | — | |
| SCHEMBL19206032 | 0.71 | — | — | |
| SCHEMBL17528513 | 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 3 patents. 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 |
| CN-106536445-B | Cement composition additive comprising polycarboxylic acid copolymer, zinc oxide particles and gluconate | 株式会社LG化学 | 2019-03-08 | — | — | CN | disclosed |
| CN-106536445-A | Cement composition additive comprising polycarboxylic acid copolymer, zinc oxide particles and gluconate | 株式会社LG化学 | 2017-03-22 | — | — | CN | disclosed |