⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6196708 | 0.79 | — | — | |
| SCHEMBL6283190 | 0.77 | — | — | |
| SCHEMBL9338929 | 0.77 | — | — | |
| SCHEMBL1933931 | 0.75 | — | — | |
| SCHEMBL5254735 | 0.74 | — | — | |
| SCHEMBL5704747 | 0.73 | — | — | |
| SCHEMBL5704746 | 0.73 | — | — | |
| SCHEMBL10385419 | 0.72 | — | — | |
| SCHEMBL4293336 | 0.72 | — | — | |
| SCHEMBL27084397 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1606251-A2 | INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR | ChemoCentryx Inc (US) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004058705-A2 | INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR | CHEMOCENTRYX (US) | 2004-07-15 | — | — | WO | disclosed |