⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21954063 | 0.78 | — | — | |
| SCHEMBL96426 | 0.69 | — | — | |
| SCHEMBL18967038 | 0.69 | — | — | |
| SCHEMBL25167605 | 0.69 | — | — | |
| SCHEMBL21208543 | 0.67 | — | — | |
| SCHEMBL24520755 | 0.67 | — | — | |
| SCHEMBL5964984 | 0.65 | — | — | |
| SCHEMBL5964983 | 0.65 | — | — | |
| SCHEMBL15863814 | 0.65 | — | — | |
| SCHEMBL8089865 | 0.63 | — | — |
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-113996332-B | Preparation method of hydrogenation catalyst and method for preparing dimethylaminopropylamine diisopropyl alcohol | 万华化学集团股份有限公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-113996332-A | Preparation method of hydrogenation catalyst and method for preparing dimethylaminopropylamine diisopropanol | 万华化学集团股份有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-104876861-B | Method for producing 2-chloro nicotinic acid | 上海泰禾国际贸易有限公司 | 2017-05-24 | — | — | CN | disclosed |