⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7258133 | 0.70 | — | — | |
| SCHEMBL4316592 | 0.70 | — | — | |
| SCHEMBL831257 | 0.70 | — | — | |
| SCHEMBL3955270 | 0.67 | — | — | |
| SCHEMBL5914620 | 0.67 | — | — | |
| SCHEMBL15201716 | 0.67 | — | — | |
| SCHEMBL8268082 | 0.65 | — | — | |
| SCHEMBL1325957 | 0.65 | — | — | |
| SCHEMBL2554795 | 0.64 | HRH3 (0.40) | — | |
| SCHEMBL8149809 | 0.64 | — | — |
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-6770650-B2 | CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA | SYNTEX (U.S.A.) LLC | 2004-08-03 | — | — | US | disclosed |
| US-6323223-B1 | CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. | SYNTEX (U.S.A.) LLC | 2001-11-27 | — | — | US | disclosed |