⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12936669 | 0.72 | CCR1 (0.49) | — | |
| SCHEMBL18895962 | 0.69 | CCR1 (0.39) | — | |
| SCHEMBL18895955 | 0.69 | CCR1 (0.38) | — | |
| SCHEMBL18896010 | 0.67 | CCR1 (0.39) | — | |
| SCHEMBL18633826 | 0.67 | CHRM2 (0.39) | — | |
| SCHEMBL16312652 | 0.66 | — | — | |
| SCHEMBL18895959 | 0.66 | CCR1 (0.34) | — | |
| SCHEMBL13824518 | 0.64 | CHRM4 (0.33) | — | |
| SCHEMBL15478333 | 0.63 | DRD2 (0.40) | — | |
| SCHEMBL14420175 | 0.63 | CCR1 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9663537-B2 | Chemokine receptor antagonists and methods of use | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | disclosed |