⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1322548 | 1.00 | — | — | |
| SCHEMBL7733509 | 0.76 | CCR1 (0.42) | — | |
| SCHEMBL7733512 | 0.76 | CCR1 (0.42) | — | |
| SCHEMBL441836 | 0.75 | CCR1 (0.60) | — | |
| SCHEMBL6360664 | 0.75 | CCR1 (0.36) | — | |
| SCHEMBL5485987 | 0.75 | CCR1 (0.44) | — | |
| SCHEMBL6363059 | 0.73 | CCR1 (0.39) | — | |
| SCHEMBL6363775 | 0.73 | CCR1 (0.35) | — | |
| SCHEMBL6363771 | 0.73 | CCR1 (0.35) | — | |
| SCHEMBL1323469 | 0.72 | CCR1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8058287-B2 | Chemokine receptor antagonists and methods of use therefor | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-11-15 | — | — | US | disclosed |
| US-20090281081-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2009-11-12 | — | — | US | disclosed |
| US-7541365-B2 | Chemokine receptor antagonists and methods of use therefor | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-06-02 | — | — | US | disclosed |
| US-20070060592-A1 | heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation | MILLENNIUM PHARMACEUTICALS, INC. | 2007-03-15 | — | — | US | disclosed |