⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4596641 | 0.74 | MAPT (0.34) | — | |
| SCHEMBL4598728 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL4598334 | 0.73 | MEN1 (0.32) | — | |
| SCHEMBL10595472 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL24892055 | 0.68 | — | — | |
| SCHEMBL27370766 | 0.67 | HAO1 (0.37) | — | |
| SCHEMBL19846093 | 0.66 | LMNA (0.44) | — | |
| SCHEMBL10341619 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL7519936 | 0.64 | TDP1 (0.36) | — | |
| SCHEMBL19846087 | 0.62 | HPGD (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1924265-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | Genzyme Corporation (US) | 2008-05-28 | — | — | EP | disclosed |
| US-20070066624-A1 | Chemokine receptor binding compounds | ANORMED, INC. (CA) | 2007-03-22 | — | — | US | disclosed |
| WO-2007022371-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORPORATION (US) | 2007-02-22 | — | — | WO | disclosed |