⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15839835 | 0.88 | — | — | |
| SCHEMBL31735298 | 0.84 | DUT (0.30) | — | |
| SCHEMBL15076439 | 0.78 | USP2 (0.41) | — | |
| SCHEMBL15369647 | 0.76 | DUT (0.30) | — | |
| SCHEMBL15285722 | 0.74 | — | — | |
| SCHEMBL685630 | 0.74 | — | — | |
| SCHEMBL4711284 | 0.72 | — | — | |
| SCHEMBL22484728 | 0.72 | — | — | |
| SCHEMBL11580466 | 0.71 | DUT (0.42) | — | |
| SCHEMBL20568780 | 0.71 | DUT (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465889-A4 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC (CA) | 2008-05-14 | — | — | EP | disclosed |
| EP-1628533-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004106493-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2004-12-09 | — | — | WO | disclosed |
| EP-1465889-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | AnorMED Inc. (CA) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003055876-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2003-07-10 | — | — | WO | disclosed |