⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3752510 | 1.00 | — | — | |
| SCHEMBL6890012 | 0.70 | — | — | |
| SCHEMBL13496008 | 0.68 | — | — | |
| SCHEMBL28704410 | 0.68 | — | — | |
| SCHEMBL5692486 | 0.68 | — | — | |
| SCHEMBL8591940 | 0.67 | — | — | |
| SCHEMBL8591938 | 0.67 | — | — | |
| SCHEMBL28690372 | 0.67 | — | — | |
| SCHEMBL1536062 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL4646956 | 0.65 | ALDH1A1 (0.38) | — |
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-20100298366-A1 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORPORATION (US) | 2010-11-25 | — | — | US | disclosed |
| US-7790747-B2 | Chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2010-09-07 | — | — | US | disclosed |
| US-20090099205-A1 | Chemokine receptor binding compounds | GENZYME CORPORATION | 2009-04-16 | — | — | US | disclosed |