⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18032691 | 0.87 | GSK3A (0.30) | — | |
| SCHEMBL7623581 | 0.70 | — | — | |
| SCHEMBL447698 | 0.69 | — | — | |
| SCHEMBL5323960 | 0.67 | — | — | |
| SCHEMBL2815876 | 0.64 | — | — | |
| SCHEMBL11073655 | 0.64 | — | — | |
| SCHEMBL7068087 | 0.63 | — | — | |
| SCHEMBL8486933 | 0.62 | — | — | |
| SCHEMBL19130118 | 0.61 | — | — | |
| SCHEMBL2230333 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1776378-B1 | PROCESS FOR THE PREPARATION 2-SUBSTITUTED-DERIVATIVES OF ESTRONE AND ESTRADIOL | ORGANON NV (NL) | 2009-11-04 | — | — | EP | disclosed |
| EP-0059146-B1 | MEDICAMENTS DERIVED FROM 3-HYDROXY DODECAHYDRO BENZ(E) INDEN-7-ON, PRODUCTS DERIVED FROM 3-HYDROXY DODECAHYDRO BENZ(E) INDEN-7-ON AND PROCESS FOR THEIR PREPARATION | ROUSSEL-UCLAF (FR) | 1985-09-25 | — | — | EP | disclosed |
| EP-0059146-A1 | Medicaments derived from 3-hydroxy dodecahydro benz(e) inden-7-on, products derived from 3-hydroxy dodecahydro benz(e) inden-7-on and process for their preparation | ROUSSEL-UCLAF (FR) | 1982-09-01 | — | — | EP | disclosed |