⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14128112 | 0.81 | — | — | |
| SCHEMBL6132906 | 0.80 | CYP2C9 (0.58) | — | |
| Iodide SCHEMBL7057387 | 0.78 | CYP2C9 (0.50) | — | |
| SCHEMBL22533416 | 0.77 | TSHR (0.55) | — | |
| SCHEMBL29391472 | 0.76 | CYP2C9 (0.44) | — | |
| SCHEMBL5956451 | 0.76 | — | — | |
| SCHEMBL7319664 | 0.75 | — | — | |
| SCHEMBL1245091 | 0.75 | CYP2C9 (0.47) | — | |
| SCHEMBL18724710 | 0.75 | CYP2C9 (0.47) | — | |
| SCHEMBL30894898 | 0.74 | CYP2C9 (0.55) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4134672-A1 | DIFFERENTIAL DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME | Immundiagnostik AG (DE) | 2023-02-15 | — | — | EP | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| WO-2022210479-A1 | USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES | 日本ケミファ株式会社 | 2022-10-06 | — | — | WO | disclosed |
| CN-114761082-A | Azepane derivatives | 日本化学药品株式会社 | 2022-07-15 | — | — | CN | disclosed |
| US-20140309186-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION | 2014-10-16 | — | — | US | disclosed |
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-20110246081-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-10-06 | — | — | US | disclosed |
| WO-2009052186-A1 | METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-04-23 | — | — | WO | disclosed |