⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL11210794 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL27900920 | 0.87 | — | — | |
| Hypochlorous Acid SCHEMBL28791242 | 0.87 | — | — | |
| SCHEMBL253906 | 0.87 | — | — | |
| SCHEMBL1331912 | 0.87 | — | — | |
| SCHEMBL9803971 | 0.87 | — | — | |
| SCHEMBL10938 | 0.87 | — | — | |
| SCHEMBL11404668 | 0.85 | — | — | |
| Alcohol SCHEMBL11428082 | 0.85 | — | — | |
| Chloromethane SCHEMBL11387550 | 0.83 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7737286-B2 | α-Hydroxy-benzeneacetic acid derivatives, and compounds having two 5-membered latone rings fused to central cyclohexa-1,4-diene nucleus based upon the same, and uses of the compounds | KYUNG-IN SYNTHETIC CORPORATION (KR) | 2010-06-15 | — | — | US | disclosed |
| EP-1663934-A4 | ALPHA-HYDROXY-BENZENEACETIC ACID DERIVATIVES, AND COMPOUNDS HAVING TWO 5-MEMBERED LACTONE RINGS FUSED TO CENTRAL CYCLOHEXA-1,4-DIENE NUCLEUS BASED UPON THE SAME, AND USES OF THE COMPOUNDS | KYUNG IN SYNTHETIC CORP (KR) | 2008-10-01 | — | — | EP | disclosed |
| US-20070220688-A1 | Alpha-Hydroxy-Benzeneacetic Acid Derivatives, and Compounds Having Two 5-Membered Latone Rings Fused to Central Cyclohexa-1,4-Diene Nucleus Based Upon the Same, and Uses of the Compounds | KYUNG-IN SYNTHETIC CORPORATION (KR) | 2007-09-27 | — | — | US | disclosed |
| EP-1663934-A1 | ALPHA-HYDROXY-BENZENEACETIC ACID DERIVATIVES, AND COMPOUNDS HAVING TWO 5-MEMBERED LACTONE RINGS FUSED TO CENTRAL CYCLOHEXA-1,4-DIENE NUCLEUS BASED UPON THE SAME, AND USES OF THE COMPOUNDS | KYUNG-IN SYNTHETIC CORPORATION (KR) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005028409-A1 | ALPHA-HYDROXY-BENZENEACETIC ACID DERIVATIVES, AND COMPOUNDS HAVING TWO 5-MEMBERED LACTONE RINGS FUSED TO CENTRAL CYCLOHEXA-1,4-DIENE NUCLEUS BASED UPON THE SAME, AND USES OF THE COMPOUNDS | KYUNG-IN SYNTHETIC CORPORATION (KR) | 2005-03-31 | — | — | WO | disclosed |