⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6938349 | 0.85 | ESR1 (0.32) | — | |
| SCHEMBL7220412 | 0.84 | ESR1 (0.37) | — | |
| SCHEMBL7081457 | 0.83 | ESR1 (0.38) | — | |
| SCHEMBL7069770 | 0.82 | ESR1 (0.39) | — | |
| SCHEMBL5854994 | 0.82 | — | — | |
| SCHEMBL5856253 | 0.82 | L3MBTL1 (0.32) | — | |
| SCHEMBL5856725 | 0.81 | L3MBTL1 (0.32) | — | |
| SCHEMBL5857085 | 0.79 | — | — | |
| SCHEMBL7233806 | 0.79 | ESR1 (0.41) | — | |
| SCHEMBL7227829 | 0.79 | ESR1 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6552068-B1 | Having anti-estrogenic activity; for use in therapy | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-04-22 | — | — | US | disclosed |
| EP-1241167-A1 | 3-ETHYL-, 3-PROPYL- OR 3-BUTYL-CHROMAN AND -THIOCHROMAN DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-09-18 | — | — | EP | disclosed |