⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11202116 | 0.78 | — | — | |
| SCHEMBL13707653 | 0.73 | FAAH (0.32) | — | |
| SCHEMBL28947256 | 0.70 | — | — | |
| SCHEMBL28947254 | 0.70 | — | — | |
| SCHEMBL8119478 | 0.68 | — | — | |
| SCHEMBL12150375 | 0.67 | — | — | |
| SCHEMBL7428860 | 0.65 | — | — | |
| SCHEMBL4266578 | 0.65 | — | — | |
| SCHEMBL2826754 | 0.64 | — | — | |
| SCHEMBL28569556 | 0.64 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101220027-A | Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands | NEUROGEN CORP (US) | 2008-07-16 | — | — | CN | disclosed |
| CN-100369912-C | Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands | NEUROGEN CORP (US) | 2008-02-20 | — | — | CN | disclosed |
| US-20060014746-A1 | Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands | NEUROGEN CORPORATION | 2006-01-19 | — | — | US | disclosed |
| US-6936617-B2 | Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands | NEUROGEN CORPORATION (US) | 2005-08-30 | — | — | US | disclosed |
| CN-1553916-A | Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands | — | 2004-12-08 | — | — | CN | disclosed |
| EP-1406906-A1 | HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2004-04-14 | — | — | EP | disclosed |
| US-20030207885-A1 | Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands | NEUROGEN CORPORATION | 2003-11-06 | — | — | US | disclosed |
| WO-2003006471-A1 | HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2003-01-23 | — | — | WO | disclosed |
| WO-2003006471-A1 | HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2003-01-23 | — | — | WO | disclosed |
| US-5459271-A | Arylbicyclooctanes as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA, INC. (CA) | 1995-10-17 | — | — | US | disclosed |
| US-5428060-A | Useful as antiasthamatic, antiallergic, antiinflammatory and cytoprotective agent | MERCK FROSST CANADA, INC. (CA) | 1995-06-27 | — | — | US | disclosed |
| WO-1995003309-A1 | ARYLBICYCLOOCTANES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1995-02-02 | — | — | WO | disclosed |
| WO-1994005658-A1 | HETEROARYLNAPHTHALENE LACTONES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1994-03-17 | — | — | WO | disclosed |
| WO-1994005657-A1 | HETEROARYLNAPHTHALENE HYDROXY ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1994-03-17 | — | — | WO | disclosed |
| US-5252599-A | Antiasthma, antiallergens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1993-10-12 | — | — | US | disclosed |
| US-4499289-A | ANTIATHEROSCLEROSIS | G. D. SEARLE & CO. (US) | 1985-02-12 | — | — | US | disclosed |
| EP-0111261-A2 | Octahydronapthalenes | G.D. Searle & Co. (US) | 1984-06-20 | — | — | EP | disclosed |