⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL441396 | 0.96 | — | — | |
| SCHEMBL29501847 | 0.69 | — | — | |
| SCHEMBL1981822 | 0.65 | — | — | |
| SCHEMBL2617482 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL1524402 | 0.65 | HPGD (0.31) | — | |
| SCHEMBL1524477 | 0.65 | HPGD (0.31) | — | |
| SCHEMBL3915906 | 0.65 | HPGD (0.31) | — | |
| SCHEMBL1524401 | 0.65 | HPGD (0.31) | — | |
| SCHEMBL442304 | 0.62 | — | — | |
| SCHEMBL1238898 | 0.62 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2300489-B1 | METHODS FOR PREPARING 17-ALKYNYL-7-HYDROXY STEROIDS AND RELATED COMPOUNDS | HARBOR THERAPEUTICS INC (US) | 2015-11-11 | — | — | EP | claimed |
| EP-0564253-B1 | Process for preparing alkoxy-terminated organosiloxane fluids using organo-lithium reagents | LOCTITE CORP (US) | 1998-12-09 | — | — | EP | claimed |
| CN-116194089-A | Protein fucosylation inhibitor and use thereof | 西蒙弗雷泽大学 | 2023-05-30 | — | — | CN | disclosed |
| EP-1928243-A2 | THIAZOLES USED AS FUNGICIDES | Bayer CropScience AG (DE) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007033780-A2 | THIAZOLES USED AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2007-03-29 | — | — | WO | disclosed |