⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20485886 | 0.97 | — | — | |
| SCHEMBL28290 | 0.97 | — | — | |
| SCHEMBL21444376 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29243205 | 0.94 | TSHR (0.43) | — | |
| SCHEMBL28940446 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28265066 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL29098942 | 0.91 | TSHR (0.42) | — | |
| SCHEMBL12050688 | 0.83 | — | — | |
| SCHEMBL4094042 | 0.83 | — | — | |
| SCHEMBL305565 | 0.83 | — | — |
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-114514256-A | Ultra high end controlled free radical polymerization | 巴斯夫涂料有限公司 | 2022-05-17 | — | — | CN | disclosed |