⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL988700 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL845296 | 0.71 | — | — | |
| SCHEMBL890999 | 0.70 | XIAP (0.39) | — | |
| SCHEMBL1164153 | 0.67 | — | — | |
| SCHEMBL2126262 | 0.67 | MAPT (0.31) | — | |
| SCHEMBL6388542 | 0.66 | CALM1 (0.41) | — | |
| SCHEMBL11885271 | 0.65 | MAP2K7 (0.33) | — | |
| Triethylene Glycol SCHEMBL5699200 | 0.64 | MEN1 (0.46) | — | |
| SCHEMBL17226003 | 0.62 | — | — | |
| SCHEMBL29150779 | 0.61 | TP53 (0.43) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167083-A2 | NOVEL 1- HETEROARYL-3-AZABICYCLOÝ3.1.0¨HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | DOV Pharmaceutical, Inc. (US) | 2010-03-31 | — | — | EP | disclosed |
| EP-1874298-A4 | METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES | DOV PHARMACEUTICAL INC (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008153937-A2 | NOVEL 1- HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | DOV PHARMACEUTICAL, INC. (US) | 2008-12-18 | — | — | WO | disclosed |
| EP-1915146-A2 | NOVEL 1-ARYL-3-AZABICYCLOÝ3.1.0¨HEXANES: PREPARATION AND USE TO TREAT NEUROPSYCHIATRIC DISORDERS | DOV Pharmaceutical, Inc. (US) | 2008-04-30 | — | — | EP | disclosed |
| EP-1874298-A2 | METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES | DOV Pharmaceutical Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2007016155-A2 | NOVEL 1-ARYL-3-AZABICYCLO[3.1.0]HEXANES: PREPARATION AND USE TO TREAT NEUROPSYCHIATRIC DISORDERS | DOV PHARMACEUTICAL, INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2006096810-A2 | METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3.1.0] HEXANES | DOV PHARMACEUTICAL, INC. (US) | 2006-09-14 | — | — | WO | disclosed |