⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14515596 | 1.00 | — | — | |
| SCHEMBL4970128 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL4970132 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL14221448 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL3308329 | 0.74 | — | — | |
| SCHEMBL14299521 | 0.74 | — | — | |
| SCHEMBL13427491 | 0.74 | — | — | |
| SCHEMBL18500972 | 0.74 | — | — | |
| SCHEMBL1408897 | 0.74 | — | — | |
| SCHEMBL24944503 | 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 2 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 |