⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30229515 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL25238564 | 0.76 | LMNA (0.36) | — | |
| SCHEMBL11932236 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL5605826 | 0.75 | — | — | |
| SCHEMBL5899325 | 0.75 | DNM1 (0.40) | — | |
| SCHEMBL2090232 | 0.75 | — | — | |
| SCHEMBL10551402 | 0.75 | LMNA (0.32) | — | |
| SCHEMBL9716305 | 0.75 | — | — | |
| SCHEMBL22673046 | 0.75 | — | — | |
| SCHEMBL9716223 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7018994-B2 | 17α-ALKYL-17β-OXY-ESTRATRIENES AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION, USE OF THE 17α-ALKYL-17β-OXY-ESTRATRIENES FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS AS WELL AS PHARMACEUTICAL PREPARATIONS | SCHERING AG (DE) | 2006-03-28 | — | — | US | disclosed |