⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL257008 | 0.65 | — | — | |
| SCHEMBL2554291 | 0.44 | — | — | |
| SCHEMBL242394 | 0.38 | — | — | |
| SCHEMBL31252448 | 0.35 | GNAI3 (0.35) | — | |
| Cyclohexane SCHEMBL6936788 | 0.35 | — | — | |
| SCHEMBL34570 | 0.34 | — | — | |
| SCHEMBL2326 | 0.34 | — | — | |
| SCHEMBL56545 | 0.34 | — | — | |
| SCHEMBL25407819 | 0.31 | — | — | |
| SCHEMBL17688343 | 0.31 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102617536-A | Isoflavone compound, its preparation method, and its application in preparation of antiviral or antitumor drugs | SHANGHAI RUIGUANG BIOCHEMICAL SCI TECH DEV CO LTD | 2012-08-01 | — | — | CN | disclosed |
| EP-1889881-A2 | A method for producing an azo compound | Fujifilm Corporation (JP) | 2008-02-20 | — | — | EP | disclosed |
| EP-0536900-A3 | PROCESS FOR PREPARING 1,2,4-THIADIAZOLE DERIVATIVES | KATAYAMA SEIYAKUSYO CO. Ltd. (JP) | 1993-04-21 | — | — | EP | disclosed |
| EP-0536900-A2 | Process for preparing 1,2,4-Thiadiazole Derivatives | KATAYAMA SEIYAKUSYO CO. Ltd. (JP) | 1993-04-14 | — | — | EP | disclosed |