⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10208832 | 1.00 | — | — | |
| SCHEMBL2632448 | 1.00 | — | — | |
| SCHEMBL28681083 | 0.97 | — | — | |
| SCHEMBL13146342 | 0.92 | — | — | |
| SCHEMBL12163091 | 0.92 | — | — | |
| SCHEMBL1070791 | 0.92 | — | — | |
| SCHEMBL1071315 | 0.76 | — | — | |
| SCHEMBL29012251 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL14274361 | 0.72 | — | — | |
| SCHEMBL23829801 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110004006-A1 | AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF | CARDIOME PHARMA CORP. (CA) | 2011-01-06 | — | — | US | disclosed |
| EP-1606284-B1 | COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2009-12-02 | — | — | EP | disclosed |
| US-20080070936-A1 | Compounds specific to adenosine A1 receptors and uses thereof | OSI PHARMACEUTICALS, INC. | 2008-03-20 | — | — | US | disclosed |
| US-20070099983-A1 | Aminocyclohexyl ether compounds and uses thereof | CARDIOME PHARMA CORP. (CA) | 2007-05-03 | — | — | US | disclosed |
| WO-2004083203-A1 | COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-30 | — | — | WO | disclosed |