⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL10430723 | 0.92 | — | — | |
| SCHEMBL9067228 | 0.81 | TSHR (0.47) | — | |
| Hexane SCHEMBL179759 | 0.78 | — | — | |
| Hexane SCHEMBL8204948 | 0.78 | TSHR (0.78) | — | |
| Hexane SCHEMBL48489 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL1994884 | 0.77 | — | — | |
| Octane SCHEMBL179870 | 0.74 | — | — | |
| Undecane SCHEMBL4210309 | 0.74 | TSHR (0.89) | — | |
| Hexane SCHEMBL5180002 | 0.74 | — | — | |
| Octane SCHEMBL5861446 | 0.74 | TSHR (0.89) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7381718-B2 | Method for preparing oestrogen derivatives | AVENTIS PHARMA S.A. (FR) | 2008-06-03 | — | — | US | disclosed |
| US-20040171595-A1 | Method for preparing oestrogen derivatives | AVENTIS PHARMA S.A. (FR) | 2004-09-02 | — | — | US | disclosed |
| EP-1404701-A1 | METHOD FOR PREPARING OESTROGEN DERIVATIVES | Aventis Pharma S.A. (FR) | 2004-04-07 | — | — | EP | disclosed |
| WO-2002100880-A1 | METHOD FOR PREPARING OESTROGEN DERIVATIVES | AVENTIS PHARMA S.A. (FR) | 2002-12-19 | — | — | WO | disclosed |