⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16336224 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL3605019 | 0.77 | — | — | |
| SCHEMBL27350154 | 0.77 | — | — | |
| SCHEMBL27294646 | 0.77 | HTT (0.43) | — | |
| SCHEMBL60023 | 0.72 | — | — | |
| SCHEMBL27587391 | 0.71 | — | — | |
| SCHEMBL14631771 | 0.70 | MEN1 (0.33) | — | |
| Water SCHEMBL27669581 | 0.70 | — | — | |
| SCHEMBL3894433 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL3898185 | 0.70 | ALDH1A1 (0.39) | — |
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-110234637-A | Pyrazole amide compounds useful as IRAK inhibitors | 里格尔药品股份有限公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-105142673-B | Novel cyclohexyl and quininuclidinyl carbamate derivatives with beta 2-adrenergic activator and M3 muscarinic antagonists activity | 阿尔米雷尔有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-107406433-A | Derivatives of 2, 3-diphenylchromene for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-1053447-C | Enzymatic acylation of 3-hydroxymethyl cephalosporins | BRISTOL MYERS SQUIBB CO (US) | 2000-06-14 | — | — | CN | disclosed |
| CN-1112927-A | Enzymatic acylation of 3-hydroxymethyl cephalosporins | BRISTOL MYERS SQUIBB CO (US) | 1995-12-06 | — | — | CN | disclosed |