⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4588906 | 0.86 | NR3C1 (0.36) | — | |
| SCHEMBL4589557 | 0.80 | STS (0.32) | — | |
| SCHEMBL6251057 | 0.80 | STS (0.32) | — | |
| SCHEMBL6232522 | 0.79 | NR3C1 (0.41) | — | |
| SCHEMBL1829950 | 0.79 | NR3C1 (0.41) | — | |
| SCHEMBL6232518 | 0.79 | NR3C1 (0.41) | — | |
| SCHEMBL4589641 | 0.79 | LMNA (0.39) | — | |
| SCHEMBL3848400 | 0.74 | STS (0.31) | — | |
| SCHEMBL3808205 | 0.72 | CYP19A1 (0.36) | — | |
| SCHEMBL6232274 | 0.72 | ESR1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7414043-B2 | 9-α-substituted estratrienes as selectively active estrogens | SCHERING AG (DE) | 2008-08-19 | — | — | US | claimed |
| US-20080132476-A1 | SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS | KOSEMUND DIRK | 2008-06-05 | — | — | US | claimed |
| EP-1517914-B1 | 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN | SCHERING AG (DE) | 2005-08-31 | — | — | EP | claimed |
| US-20040087565-A1 | 9-alpha-substituted estratrienes as selectively active estrogens | SCHERING AG (DE) | 2004-05-06 | — | — | US | claimed |
| US-7414043-B2 | 9-α-substituted estratrienes as selectively active estrogens | SCHERING AG (DE) | 2008-08-19 | — | — | US | disclosed |
| US-20080132476-A1 | SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS | KOSEMUND DIRK | 2008-06-05 | — | — | US | disclosed |
| EP-1517914-B1 | 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN | SCHERING AG (DE) | 2005-08-31 | — | — | EP | disclosed |
| US-20040087565-A1 | 9-alpha-substituted estratrienes as selectively active estrogens | SCHERING AG (DE) | 2004-05-06 | — | — | US | disclosed |