⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1920321 | 0.86 | GAA (0.34) | — | |
| SCHEMBL4333514 | 0.86 | GAA (0.34) | — | |
| SCHEMBL38666265 | 0.84 | GAA (0.37) | — | |
| SCHEMBL4757565 | 0.82 | — | — | |
| SCHEMBL14222480 | 0.73 | — | — | |
| SCHEMBL21275990 | 0.73 | — | — | |
| SCHEMBL18394704 | 0.73 | — | — | |
| SCHEMBL22481534 | 0.73 | — | — | |
| SCHEMBL18643158 | 0.73 | — | — | |
| SCHEMBL31209688 | 0.72 | SLC6A2 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20070082939-A1 | Methods and compositions for the treatment of neuropathies and related disorders | LIPPA ARNOLD S | 2007-04-12 | — | — | US | 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 |