⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL248161 | 0.90 | — | — | |
| SCHEMBL28231607 | 0.76 | — | — | |
| SCHEMBL18175695 | 0.76 | — | — | |
| SCHEMBL24505545 | 0.73 | EPHX2 (0.41) | — | |
| SCHEMBL8895269 | 0.73 | CA5A (0.36) | — | |
| SCHEMBL3113903 | 0.73 | CA5A (0.36) | — | |
| SCHEMBL10938348 | 0.72 | — | — | |
| SCHEMBL6703749 | 0.71 | — | — | |
| SCHEMBL16137779 | 0.70 | — | — | |
| SCHEMBL5147439 | 0.69 | — | — |
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-20090318693-A1 | LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS | FORMAN BARRY | 2009-12-24 | — | — | US | disclosed |
| US-7544838-B2 | Ligands for estrogen related receptors and methods for synthesis of said ligands | CITY OF HOPE (US) | 2009-06-09 | — | — | US | disclosed |
| US-20060189825-A1 | Ligands for estrogen related receptors and methods for synthesis of said ligands | CITY OF HOPE | 2006-08-24 | — | — | US | disclosed |