⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6130149 | 0.62 | — | — | |
| SCHEMBL6613460 | 0.60 | — | — | |
| SCHEMBL3638628 | 0.58 | — | — | |
| SCHEMBL4742508 | 0.57 | — | — | |
| SCHEMBL4591076 | 0.56 | — | — | |
| SCHEMBL19209088 | 0.54 | — | — | |
| SCHEMBL13722590 | 0.52 | — | — | |
| SCHEMBL11941617 | 0.52 | — | — | |
| SCHEMBL15674634 | 0.52 | — | — | |
| SCHEMBL18266204 | 0.51 | — | — |
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-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 |