⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3804174 | 0.78 | — | — | |
| SCHEMBL1066012 | 0.77 | — | — | |
| SCHEMBL29093387 | 0.74 | ESR2 (0.30) | — | |
| SCHEMBL5712748 | 0.72 | ESR2 (0.32) | — | |
| SCHEMBL7135080 | 0.69 | — | — | |
| SCHEMBL27526976 | 0.68 | MAPT (0.30) | — | |
| SCHEMBL10729515 | 0.67 | — | — | |
| SCHEMBL3293899 | 0.65 | MAPT (0.42) | — | |
| SCHEMBL8741460 | 0.65 | TLR4 (0.34) | — | |
| SCHEMBL15263 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008137599-A2 | 2-ALKOXYESTRADIOL ANALOGS AND PHARMACEUTICAL PREPARATIONS | EVESTRA, INC. (US) | 2008-11-13 | — | — | WO | disclosed |