⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3845258 | 0.92 | TP53 (0.30) | — | |
| SCHEMBL3846199 | 0.92 | PTPN2 (0.34) | — | |
| SCHEMBL3849534 | 0.91 | CA2 (0.36) | — | |
| SCHEMBL3845312 | 0.88 | — | — | |
| SCHEMBL5152125 | 0.87 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL3848339 | 0.87 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL3845838 | 0.84 | PTPN2 (0.35) | — | |
| SCHEMBL3851555 | 0.83 | CA2 (0.36) | — | |
| SCHEMBL3845574 | 0.83 | PTPN2 (0.36) | — | |
| SCHEMBL3849691 | 0.80 | — | — |
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 8 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 | claimed |
| EP-1957515-A2 | PRODRUG ERbeta-SELECTIVE SUBSTANCES, METHODS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2008-08-20 | — | — | EP | claimed |
| WO-2007062877-A2 | PRODRUG ERβ-SELECTIVE SUBSTANCES, METHODS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-06-07 | — | — | WO | claimed |
| 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 | claimed |
| 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 |
| EP-1957515-A2 | PRODRUG ERbeta-SELECTIVE SUBSTANCES, METHODS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007062877-A2 | PRODRUG ERβ-SELECTIVE SUBSTANCES, METHODS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-06-07 | — | — | WO | 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 |