⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13477368 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL28342283 | 0.73 | — | — | |
| SCHEMBL10051470 | 0.73 | — | — | |
| SCHEMBL23590481 | 0.73 | — | — | |
| SCHEMBL13477370 | 0.72 | MAPT (0.38) | — | |
| SCHEMBL17899790 | 0.71 | — | — | |
| SCHEMBL22179878 | 0.67 | — | — | |
| SCHEMBL8439968 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL20118624 | 0.64 | — | — | |
| SCHEMBL10229106 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200207723-A1 | UNSATURATED HYDROCARBON PYRIMIDINE THIOETHER COMPOUNDS AND PREPARATION METHOD AND APPLICATION THEREOF | ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) | 2020-07-02 | — | — | US | disclosed |
| US-20170296508-A1 | Applications of Substituent Benzyloxy Group Containing Ether Compounds for Preparing Antitumor Drugs | SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) | 2017-10-19 | — | — | US | disclosed |
| EP-3040073-A1 | APPLICATIONS OF SUBSTITUENT BENZYLOXY GROUP CONTAINING ETHER COMPOUNDS FOR PREPARING ANTITUMOR DRUGS | Sinochem Corporation (CN) | 2016-07-06 | — | — | EP | disclosed |
| EP-2149564-A1 | SUBSTITUTED PYRIMIDINE ETHER COMPOUNDS AND THEIR USE | Sinochem Corporation (CN) | 2010-02-03 | — | — | EP | disclosed |