⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2636314 | 0.88 | — | — | |
| SCHEMBL864384 | 0.88 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL8671685 | 0.85 | LMNA (0.35) | — | |
| SCHEMBL2780203 | 0.85 | — | — | |
| SCHEMBL2637189 | 0.85 | LMNA (0.35) | — | |
| SCHEMBL6852245 | 0.85 | LMNA (0.35) | — | |
| SCHEMBL879892 | 0.85 | LMNA (0.35) | — | |
| SCHEMBL6849263 | 0.85 | LMNA (0.35) | — | |
| SCHEMBL338407 | 0.85 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6650821 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2258375-A1 | 17B-alkyl-17alpha-oxy-estratrienes | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-12-08 | — | — | EP | disclosed |