⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16312655 | 0.82 | CCR1 (0.33) | — | |
| SCHEMBL18895959 | 0.72 | CCR1 (0.34) | — | |
| SCHEMBL18895955 | 0.66 | CCR1 (0.38) | — | |
| SCHEMBL18896011 | 0.63 | CCR1 (0.37) | — | |
| SCHEMBL18633826 | 0.62 | CHRM2 (0.39) | — | |
| SCHEMBL18895954 | 0.59 | CCR1 (0.37) | — | |
| SCHEMBL18633836 | 0.59 | CCR1 (0.33) | — | |
| SCHEMBL13824459 | 0.58 | CCR1 (0.40) | — | |
| SCHEMBL14579858 | 0.58 | — | — | |
| SCHEMBL18895961 | 0.58 | CCR1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1688418-B1 | Chemokine receptor antagonists and methods of use thereof | MILLENNIUM PHARM INC (US) | 2017-03-15 | — | — | EP | disclosed |