⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL160338 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL30206994 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL28270216 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL7713327 | 0.75 | ACHE (0.37) | — | |
| SCHEMBL5887622 | 0.69 | ACHE (0.43) | — | |
| O-Xylene SCHEMBL10522915 | 0.67 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL8216257 | 0.67 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL11035539 | 0.67 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL170581 | 0.67 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL772 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776476-B | Method for synthesizing 5-hydroxy-3-seleno-4 a,8 a-dihydro-2H-chroman-6 (5H) -one | 桂林医学院 | 2022-07-15 | — | — | CN | claimed |
| CN-113620882-B | Selenium-containing imidazole compound and application thereof in preparation of antibacterial drugs | 浙江工业大学 | 2024-05-03 | — | — | CN | disclosed |
| CN-113712961-B | Application of beta-selenoether imidazole compound in preparation of antitumor drugs | 浙江工业大学 | 2023-03-28 | — | — | CN | disclosed |
| CN-111253303-B | Method for synthesizing 3-selenium-spiro (2-cyclopentene-1,3-indole) -4-ketone | 桂林医学院 | 2022-11-01 | — | — | CN | disclosed |
| CN-109776476-B | Method for synthesizing 5-hydroxy-3-seleno-4 a,8 a-dihydro-2H-chroman-6 (5H) -one | 桂林医学院 | 2022-07-15 | — | — | CN | disclosed |
| CN-113712961-A | Application of beta-selenoether imidazole compound in preparation of antitumor drugs | 浙江工业大学 | 2021-11-30 | — | — | CN | disclosed |
| CN-113620882-A | Imidazole compound containing selenium and application thereof in preparation of antibacterial drugs | 浙江工业大学 | 2021-11-09 | — | — | CN | disclosed |
| CN-111253303-A | Method for synthesizing 3-selenium-spiro (2-cyclopentene-1, 3-indole) -4-ketone | 桂林医学院 | 2020-06-09 | — | — | CN | disclosed |
| CN-109180625-B | Preparation method of seleno-flavonoid compound | 温州医科大学 | 2020-05-08 | — | — | CN | disclosed |