⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17706375 | 0.71 | — | — | |
| SCHEMBL28152102 | 0.67 | — | — | |
| SCHEMBL28224145 | 0.65 | — | — | |
| SCHEMBL17335996 | 0.64 | — | — | |
| SCHEMBL6206004 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL20080874 | 0.58 | — | — | |
| SCHEMBL14191845 | 0.58 | — | — | |
| SCHEMBL8589123 | 0.57 | — | — | |
| SCHEMBL4845059 | 0.57 | — | — | |
| SCHEMBL28133411 | 0.54 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106795116-B | Tosylate of MEK kinase inhibitor, crystal form and preparation method thereof | JIANGSU HENGRUI MEDICINE CO.,LTD. (CN) | 2019-11-01 | — | — | CN | claimed |
| CN-109790146-A | Medical compounds | 阿尔麦克探索有限公司 | 2019-05-21 | — | — | CN | claimed |
| CN-109790146-A | Medical compounds | 阿尔麦克探索有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-109195965-A | The inhibitor that WDR5 protein-protein combines | 普罗佩纶治疗公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-108794393-A | 6- oxo -1,6- dihydropyridine -3- carboxamides derivatives, its pharmaceutical composition, preparation method and purposes | 北京施安泰医药技术开发有限公司 | 2018-11-13 | — | — | CN | disclosed |