⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1524501 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL142415 | 0.76 | — | — | |
| SCHEMBL5694826 | 0.76 | — | — | |
| SCHEMBL22614780 | 0.75 | MEN1 (0.46) | — | |
| SCHEMBL5580117 | 0.75 | MEN1 (0.46) | — | |
| SCHEMBL12865190 | 0.75 | LPAR6 (0.35) | — | |
| SCHEMBL2744639 | 0.74 | — | — | |
| SCHEMBL10984471 | 0.74 | — | — | |
| SCHEMBL28797362 | 0.74 | HSD17B10 (0.32) | — | |
| Ethylene Glycol SCHEMBL10984433 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8722730-B2 | 5-membered heterocyclic compound | RESEARCH FOUNDATION ITSUU LABORATORY (JP) | 2014-05-13 | — | — | US | disclosed |
| US-8633335-B2 | Retinoid prodrug compound | Research Founation Itsuu Laboratory (JP) | 2014-01-21 | — | — | US | disclosed |
| US-8178727-B2 | Bis(arylmethylidene)acetone compound, anti-cancer agent, carcinogenesis-preventive agent, inhibitor of expression of Ki-Ras, ErbB2, c-Myc and Cycline D1, β-catenin-degrading agent, and p53 expression enhancer | NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) | 2012-05-15 | — | — | US | disclosed |
| US-20110213156-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | RESEARCH FOUNDATION ITSUU LABORATORY (JP) | 2011-09-01 | — | — | US | disclosed |
| US-20100286427-A1 | RETINOID PRODRUG COMPOUND | RESEARCH FOUNDATION ITSUU LABORATORY (JP) | 2010-11-11 | — | — | US | disclosed |
| EP-2216322-A1 | RETINOID PRODRUG COMPOUND | Research Foundation Itsuu Laboratory (JP) | 2010-08-11 | — | — | EP | disclosed |
| US-20100152493-A1 | BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER | SHIBATA, HIROYUKI (JP) | 2010-06-17 | — | — | US | disclosed |
| EP-2189445-A1 | FIVE-MEMBERED HETEROCYCLIC COMPOUND | Research Foundation Itsuu Laboratory (JP) | 2010-05-26 | — | — | EP | disclosed |