⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13609143 | 0.93 | TSHR (0.41) | — | |
| SCHEMBL8811143 | 0.91 | TSHR (0.44) | — | |
| SCHEMBL8812361 | 0.91 | TSHR (0.44) | — | |
| SCHEMBL8811977 | 0.91 | TSHR (0.44) | — | |
| SCHEMBL8813126 | 0.91 | TSHR (0.44) | — | |
| SCHEMBL8810628 | 0.91 | TSHR (0.44) | — | |
| SCHEMBL7543622 | 0.91 | TSHR (0.44) | — | |
| SCHEMBL8814288 | 0.91 | TSHR (0.44) | — | |
| SCHEMBL8813527 | 0.91 | TSHR (0.44) | — | |
| SCHEMBL2386320 | 0.85 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105785048-B | Based on the nearly overall Protein quantitative analysis method with heavy label of light isotope | 同济大学 | 2017-07-28 | — | — | CN | claimed |
| CN-105785048-A | Global protein quantitative analysis method based on light isotope and isobar labeling | 同济大学 | 2016-07-20 | — | — | CN | claimed |
| WO-2016013033-A1 | VINYLIC 3-AMINO-1,2 DIOLS COMPOUNDS AND PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-01-28 | — | — | WO | claimed |
| CN-105785048-B | Based on the nearly overall Protein quantitative analysis method with heavy label of light isotope | 同济大学 | 2017-07-28 | — | — | CN | disclosed |
| CN-105785048-A | Global protein quantitative analysis method based on light isotope and isobar labeling | 同济大学 | 2016-07-20 | — | — | CN | disclosed |
| WO-2016013033-A1 | VINYLIC 3-AMINO-1,2 DIOLS COMPOUNDS AND PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-01-28 | — | — | WO | disclosed |
| EP-0420571-A2 | 6-and/or 7-substituted -1,2,3,4,4A,9B-hexahydro-8-hydroxydibenzofuran-3-ols as inhibitors of leukotriene biosynthesis | MERCK & CO. INC. (US) | 1991-04-03 | — | — | EP | disclosed |
| US-4978679-A | 6- and/or 7-substituted-1,2,3,4,4A,9B-hexahydro-8-hydroxydibenzofuran-3-ols as inhibitors of leukotriene biosynthesis | MERCK & CO., INC. (US) | 1990-12-18 | — | — | US | disclosed |