⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25784654 | 0.78 | EPHX1 (0.46) | — | |
| SCHEMBL28108983 | 0.78 | EPHX1 (0.46) | — | |
| SCHEMBL7648171 | 0.77 | — | — | |
| SCHEMBL15973793 | 0.77 | CA1 (0.41) | — | |
| SCHEMBL20141588 | 0.77 | CA1 (0.36) | — | |
| SCHEMBL7274843 | 0.76 | GRM5 (0.34) | — | |
| SCHEMBL7395896 | 0.75 | SLC1A2 (0.56) | — | |
| SCHEMBL11250069 | 0.73 | EPHX1 (0.33) | — | |
| SCHEMBL9951715 | 0.72 | EPHX1 (0.53) | — | |
| SCHEMBL3274993 | 0.72 | EPHX1 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2493910-A1 | MACROCYCLIC GHRELIN RECEPTOR ANTAGONISTS AND INVERSE AGONISTS AND METHODS OF USING THE SAME | Tranzyme Pharma, Inc. (US) | 2012-09-05 | — | — | EP | disclosed |
| US-20110105389-A1 | Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same | OCERA THERAPEUTICS, INC. | 2011-05-05 | — | — | US | disclosed |
| WO-2011053821-A1 | MACROCYCLIC GHRELIN RECEPTOR ANTAGONISTS AND INVERSE AGONISTS AND METHODS OF USING THE SAME | TRANZYME PHARMA, INC. (US) | 2011-05-05 | — | — | WO | disclosed |
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |