⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3353671 | 0.90 | TP53 (0.31) | — | |
| SCHEMBL3358213 | 0.76 | CCR1 (0.44) | — | |
| SCHEMBL6975854 | 0.71 | NR1H2 (0.33) | — | |
| SCHEMBL3355619 | 0.69 | CCR1 (0.42) | — | |
| SCHEMBL2878056 | 0.65 | — | — | |
| SCHEMBL302939 | 0.65 | — | — | |
| SCHEMBL14323902 | 0.65 | NR1H2 (0.31) | — | |
| SCHEMBL27602720 | 0.64 | NR1H2 (0.36) | — | |
| SCHEMBL3355846 | 0.64 | USP2 (0.33) | — | |
| SCHEMBL2883078 | 0.62 | ABCB1 (0.35) | — |
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-20100152160-A1 | NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | KHAMRAI UTTAM | 2010-06-17 | — | — | US | disclosed |