⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28436968 | 0.73 | — | — | |
| SCHEMBL347521 | 0.72 | — | — | |
| SCHEMBL7055847 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL163624 | 0.72 | — | — | |
| SCHEMBL6052975 | 0.72 | — | — | |
| SCHEMBL10770048 | 0.72 | — | — | |
| SCHEMBL9455679 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL3855127 | 0.69 | — | — | |
| SCHEMBL370579 | 0.69 | — | — | |
| SCHEMBL22206098 | 0.69 | — | — |
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-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 |
| US-20040181094-A1 | Transition metal oxo complexes as catalysts of synthetic processes involving alkyne reactants | REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE | 2004-09-16 | — | — | US | disclosed |