⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18322410 | 0.77 | — | — | |
| SCHEMBL6026196 | 0.75 | RAPGEF4 (0.31) | — | |
| SCHEMBL286168 | 0.75 | RAPGEF4 (0.31) | — | |
| SCHEMBL29385092 | 0.75 | RAPGEF4 (0.31) | — | |
| SCHEMBL31018114 | 0.73 | RAPGEF4 (0.32) | — | |
| SCHEMBL33527568 | 0.73 | PTGS2 (0.31) | — | |
| SCHEMBL2112663 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL191365 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL31586251 | 0.69 | FFAR4 (0.36) | — | |
| SCHEMBL31378558 | 0.67 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613613-B1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORP (US) | 2021-06-02 | — | — | EP | disclosed |
| US-7863293-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2011-01-04 | — | — | US | disclosed |
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| US-20080255197-A1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED CORPORATION (CA) | 2008-10-16 | — | — | US | disclosed |
| US-7291631-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2007-11-06 | — | — | US | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |
| US-20040209921-A1 | CXCR4 chemokine receptor binding comounds | ANORMED CORPORATION (CA) | 2004-10-21 | — | — | US | disclosed |
| US-5250527-A | Enzyme inhibitors; administering to reduce gastric acid secretion | SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-10-05 | — | — | US | disclosed |
| EP-0246774-A1 | Chemical compounds | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1987-11-25 | — | — | EP | disclosed |