⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5854901 | 1.00 | — | — | |
| SCHEMBL5854230 | 0.93 | L3MBTL1 (0.34) | — | |
| SCHEMBL7069771 | 0.93 | — | — | |
| SCHEMBL7122206 | 0.84 | L3MBTL1 (0.34) | — | |
| SCHEMBL5854540 | 0.82 | EDNRB (0.35) | — | |
| SCHEMBL5858007 | 0.80 | HTR2B (0.36) | — | |
| SCHEMBL5854353 | 0.80 | HTR2B (0.36) | — | |
| SCHEMBL7123998 | 0.79 | HTR2B (0.37) | — | |
| SCHEMBL7129811 | 0.79 | HTR2B (0.36) | — | |
| SCHEMBL5854875 | 0.78 | CNR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6610733-B2 | Antiestrogen, therapeutic agent for breast cancer | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-08-26 | — | — | US | disclosed |
| US-20030125571-A1 | Optically active chroman and thiochroman derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-07-03 | — | — | US | disclosed |
| EP-1241165-A1 | OPTICALLY ACTIVE CHROMAN AND THIOCHROMAN DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-09-18 | — | — | EP | disclosed |