⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193591 | 0.78 | — | — | |
| Isonipecotic Acid SCHEMBL6122239 | 0.78 | TSHR (0.94) | — | |
| SCHEMBL3774341 | 0.77 | TSHR (0.65) | — | |
| Bromide SCHEMBL27312283 | 0.74 | TSHR (0.62) | — | |
| Hydrochloric Acid SCHEMBL27508984 | 0.74 | TSHR (0.62) | — | |
| Hydrochloric Acid SCHEMBL27430608 | 0.74 | TSHR (0.62) | — | |
| Isonipecotic Acid SCHEMBL2027408 | 0.74 | TSHR (1.00) | — | |
| Isonipecotic Acid SCHEMBL104297 | 0.74 | — | — | |
| SCHEMBL21952157 | 0.74 | — | — | |
| SCHEMBL1484884 | 0.74 | TSHR (0.62) | — |
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-8546435-B2 | Triazole derivatives with improved receptor activity and bioavailability properties as ghrelin antagonists of growth hormone secretagogue receptors | AETERNA ZENTARIS GMBH (DE) | 2013-10-01 | — | — | US | claimed |
| EP-2616070-A1 | NOVEL TRIAZOLE DERIVATIVES WITH IMPROVED RECEPTOR ACTIVITY AND BIOAVAILABILITY PROPERTIES AS GHRELIN ANTAGONISTS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS | Æterna Zentaris GmbH (DE) | 2013-07-24 | — | — | EP | claimed |
| WO-2012035124-A1 | NOVEL TRIAZOLE DERIVATIVES WITH IMPROVED RECEPTOR ACTIVITY AND BIOAVAILABILITY PROPERTIES AS GHRELIN ANTAGONISTS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS | ÆTERNA ZENTARIS GMBH (DE) | 2012-03-22 | — | — | WO | claimed |
| US-8546435-B2 | Triazole derivatives with improved receptor activity and bioavailability properties as ghrelin antagonists of growth hormone secretagogue receptors | AETERNA ZENTARIS GMBH (DE) | 2013-10-01 | — | — | US | disclosed |