⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17593263 | 0.78 | — | — | |
| SCHEMBL10535967 | 0.76 | — | — | |
| SCHEMBL1396276 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL2724335 | 0.74 | PIK3CD (0.32) | — | |
| SCHEMBL2402938 | 0.74 | — | — | |
| SCHEMBL23381225 | 0.73 | — | — | |
| SCHEMBL19383830 | 0.72 | ADH1B (0.31) | — | |
| SCHEMBL12328301 | 0.72 | ADH1B (0.31) | — | |
| SCHEMBL24793744 | 0.70 | — | — | |
| SCHEMBL19384097 | 0.69 | — | — |
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-113877630-B | Catalyst for preparing bis [ (3-dimethylamino) propyl ] amine and application thereof | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-113877630-A | Catalyst for preparing bis [ (3-dimethylamino) propyl ] amine and application thereof | 万华化学集团股份有限公司 | 2022-01-04 | — | — | CN | disclosed |