⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3844568 | 0.90 | LMNA (0.31) | — | |
| SCHEMBL5156005 | 0.86 | ESR1 (0.32) | — | |
| SCHEMBL3846173 | 0.83 | ESR2 (0.43) | — | |
| SCHEMBL3848340 | 0.82 | STS (0.31) | — | |
| SCHEMBL3847345 | 0.81 | RORC (0.33) | — | |
| SCHEMBL3854474 | 0.79 | ESR1 (0.32) | — | |
| SCHEMBL3854471 | 0.79 | ESR1 (0.32) | — | |
| SCHEMBL3848400 | 0.79 | STS (0.31) | — | |
| SCHEMBL6028199 | 0.70 | ESR1 (0.44) | — | |
| SCHEMBL6027234 | 0.70 | ESR1 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2039702-A2 | Prodrugs erbeta-selective substances, method for their production and pharmaceutical compounds containing these compositions | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-03-25 | — | — | EP | disclosed |
| US-20070123500-A1 | Prodrugs of ERbeta-selective substances, processes for their preparation and pharmaceutical compositions comprising these compounds | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-05-31 | — | — | US | disclosed |