⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27259331 | 0.98 | MEN1 (0.30) | — | |
| Acrylamide SCHEMBL28229940 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL27259259 | 0.83 | ALOX15 (0.33) | — | |
| SCHEMBL10388688 | 0.72 | — | — | |
| SCHEMBL26059407 | 0.71 | — | — | |
| SCHEMBL3505624 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL2005167 | 0.71 | FFAR3 (0.36) | — | |
| SCHEMBL4866823 | 0.70 | — | — | |
| SCHEMBL10412000 | 0.69 | — | — | |
| SCHEMBL21847231 | 0.68 | ALDH1A1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107266514-A | Method for producing E4 intermediate | 埃斯特拉私人有限责任公司 | 2017-10-20 | — | — | CN | disclosed |
| CN-103890001-B | Process for the preparation of estetrol | ESTETRA S.A. (BE) | 2016-05-04 | — | — | CN | disclosed |
| CN-103890001-A | Process for the preparation of estetrol | ESTETRA SA | 2014-06-25 | — | — | CN | disclosed |