⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29179905 | 0.79 | — | — | |
| SCHEMBL6838846 | 0.79 | — | — | |
| SCHEMBL7799915 | 0.79 | — | — | |
| SCHEMBL183077 | 0.77 | — | — | |
| SCHEMBL22800309 | 0.77 | — | — | |
| SCHEMBL14136768 | 0.74 | GAA (0.33) | — | |
| SCHEMBL29152566 | 0.72 | MAPK1 (0.41) | — | |
| SCHEMBL3112694 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL16244206 | 0.69 | RAB9A (0.57) | — | |
| SCHEMBL3213059 | 0.68 | — | — |
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-1401841-B1 | SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2005-08-24 | — | — | EP | claimed |
| US-20070270584-A1 | Process for the Preparation of Steroidal Carbothioic Acid Derivatives and Intermediates | AXELLIA PHARMACEUTICALS APS (DK) | 2007-11-22 | — | — | US | disclosed |
| EP-1611149-A1 | PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES | Alpharma APS (DK) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004087731-A1 | PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES | ALPHARMA APS (DK) | 2004-10-14 | — | — | WO | disclosed |
| EP-1466920-A1 | Process for the preparation of steroidal 17 beta-carbothioates | Alpharma APS (DK) | 2004-10-13 | — | — | EP | disclosed |