⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5675540 | 0.54 | — | — | |
| SCHEMBL11680869 | 0.53 | — | — | |
| SCHEMBL17131854 | 0.45 | ALDH1A1 (0.31) | — | |
| SCHEMBL153003 | 0.45 | — | — | |
| SCHEMBL801296 | 0.45 | ALDH1A1 (0.31) | — | |
| SCHEMBL31457198 | 0.43 | — | — | |
| Maleic Anhydride SCHEMBL3724887 | 0.41 | — | — | |
| SCHEMBL13892924 | 0.41 | — | — | |
| SCHEMBL159827 | 0.41 | — | — | |
| SCHEMBL1323076 | 0.38 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7728001-B2 | Opioid receptor ligands and methods for their preparation | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2010-06-01 | — | — | US | claimed |
| US-9428494-B2 | Therapeutic compounds | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2016-08-30 | — | — | US | disclosed |
| US-20100179217-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2010-07-15 | — | — | US | disclosed |
| US-7728001-B2 | Opioid receptor ligands and methods for their preparation | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2010-06-01 | — | — | US | disclosed |
| WO-2008055261-A2 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2008-05-08 | — | — | WO | disclosed |
| US-20060058264-A1 | Opioid receptor ligands and methods for their preparation | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2006-03-16 | — | — | US | disclosed |