⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17818 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL534131 | 0.94 | — | — | |
| SCHEMBL20262532 | 0.94 | — | — | |
| SCHEMBL28223943 | 0.94 | — | — | |
| Bromide SCHEMBL4851394 | 0.94 | — | — | |
| Water SCHEMBL11376127 | 0.94 | — | — | |
| Ethylene SCHEMBL5835732 | 0.94 | HDAC3 (0.48) | — | |
| Hydrochloric Acid SCHEMBL2564981 | 0.94 | — | — | |
| SCHEMBL29143554 | 0.94 | — | — | |
| SCHEMBL28223215 | 0.94 | — | — |
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-108235706-A | Based on acryloyl dimethyl tauric acid ester, neutral monomer and with carboxylate group monomer polymer preparation method | 科莱恩国际有限公司 | 2018-06-29 | — | — | CN | disclosed |