⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11173127 | 0.83 | — | — | |
| SCHEMBL6160088 | 0.79 | ADH1B (0.47) | — | |
| SCHEMBL11575566 | 0.79 | ADH1B (0.47) | — | |
| SCHEMBL31595891 | 0.79 | ADH1B (0.47) | — | |
| SCHEMBL10584257 | 0.79 | ADH1B (0.47) | — | |
| SCHEMBL20214582 | 0.79 | ADH1B (0.47) | — | |
| SCHEMBL1258586 | 0.75 | — | — | |
| SCHEMBL14045047 | 0.75 | — | — | |
| SCHEMBL28922725 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL5701904 | 0.73 | — | — |
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-7968734-B2 | Organocatalysts and methods of use in chemical synthesis | STC.UNM (US) | 2011-06-28 | — | — | US | disclosed |
| EP-1309739-A1 | PROCESS FOR THE PRODUCTION OF 2-HYDROXY-4-METHYLMERCAPTOBUTYRIC ACID | Degussa AG (DE) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002016671-A1 | PROCESS FOR THE PRODUCTION OF 2-HYDROXY-4-METHYLMERCAPTOBUTYRIC ACID | DEGUSSA AG (DE) | 2002-02-28 | — | — | WO | disclosed |
| EP-0307476-A1 | BILIRUBIN ANTIGEN, MONOCLONAL ANTIBODY THEREFOR, PROCESS FOR THEIR PREPARATION, AND THEIR USE | KUKITA, Takeshi (JP) | 1989-03-22 | — | — | EP | disclosed |