⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5029486 | 0.81 | SI (0.32) | — | |
| SCHEMBL5029252 | 0.75 | CCR2 (0.38) | — | |
| SCHEMBL5029246 | 0.75 | CCR2 (0.38) | — | |
| SCHEMBL5033528 | 0.74 | CYP2D6 (0.39) | — | |
| SCHEMBL5029318 | 0.74 | — | — | |
| SCHEMBL5031949 | 0.71 | SLC6A2 (0.38) | — | |
| SCHEMBL3424968 | 0.67 | CCR2 (0.54) | — | |
| SCHEMBL17131637 | 0.67 | — | — | |
| SCHEMBL3423560 | 0.66 | CCR2 (0.48) | — | |
| SCHEMBL16456636 | 0.66 | CCR2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7378409-B2 | Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-27 | — | — | US | disclosed |
| US-20050054626-A1 | Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2005-03-10 | — | — | US | disclosed |