⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11475225 | 0.75 | — | — | |
| SCHEMBL2948988 | 0.73 | RAB9A (0.38) | — | |
| SCHEMBL11963820 | 0.73 | RAB9A (0.37) | — | |
| SCHEMBL2778898 | 0.72 | RAB9A (0.46) | — | |
| SCHEMBL1401727 | 0.72 | KDM6B (0.43) | — | |
| SCHEMBL4018720 | 0.72 | KDM6B (0.43) | — | |
| SCHEMBL156391 | 0.69 | — | — | |
| SCHEMBL28325720 | 0.69 | — | — | |
| SCHEMBL208499 | 0.69 | — | — | |
| SCHEMBL5862854 | 0.67 | — | — |
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-114075233-B | Preparation method of dimethylamine borane | 山东国邦药业有限公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-114075233-A | Preparation method of dimethylamine borane | 山东国邦药业有限公司 | 2022-02-22 | — | — | CN | disclosed |
| CN-103910614-A | Method for preparing alpha, beta unsaturated methyl ketone | NUTRICHEM CO LTD | 2014-07-09 | — | — | CN | disclosed |