⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24151032 | 1.00 | — | — | |
| SCHEMBL18270873 | 1.00 | — | — | |
| SCHEMBL19931582 | 0.84 | — | — | |
| SCHEMBL14022362 | 0.84 | — | — | |
| SCHEMBL12885023 | 0.84 | — | — | |
| SCHEMBL3924319 | 0.82 | — | — | |
| SCHEMBL24615993 | 0.82 | — | — | |
| SCHEMBL15038031 | 0.80 | CYP1A2 (0.59) | — | |
| SCHEMBL22789101 | 0.79 | CHRNA3 (0.33) | — | |
| SCHEMBL17835225 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3303326-B1 | HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-12-16 | — | — | EP | disclosed |
| WO-2016189011-A1 | HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2016-12-01 | — | — | WO | disclosed |
| US-20160347742-A1 | HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | GENENTECH, INC. (US) | 2016-12-01 | — | — | US | disclosed |