⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4718743 | 0.90 | — | — | |
| SCHEMBL4718025 | 0.86 | TRPA1 (0.30) | — | |
| SCHEMBL8234289 | 0.75 | PAX8 (0.36) | — | |
| SCHEMBL852215 | 0.75 | CCR1 (0.34) | — | |
| SCHEMBL27510503 | 0.70 | KDM4E (0.44) | — | |
| SCHEMBL4928262 | 0.70 | NPSR1 (0.34) | — | |
| SCHEMBL27492619 | 0.68 | MAPT (0.43) | — | |
| SCHEMBL5712482 | 0.66 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL13680826 | 0.65 | PDE10A (0.42) | — | |
| SCHEMBL7029816 | 0.64 | KCNH2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1216230-B1 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2008-04-23 | — | — | EP | disclosed |
| US-6514964-B1 | Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors | AMGEN INC. | 2003-02-04 | — | — | US | disclosed |
| EP-1216230-A2 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | Amgen Inc. (US) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001023357-A2 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC. (US) | 2001-04-05 | — | — | WO | disclosed |