⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL96740 | 1.00 | — | — | |
| SCHEMBL20936918 | 1.00 | — | — | |
| SCHEMBL14160810 | 1.00 | — | — | |
| SCHEMBL20031089 | 1.00 | — | — | |
| SCHEMBL20031389 | 0.86 | — | — | |
| SCHEMBL20031086 | 0.86 | — | — | |
| SCHEMBL20031342 | 0.86 | — | — | |
| SCHEMBL13394390 | 0.86 | — | — | |
| SCHEMBL96403 | 0.86 | — | — | |
| SCHEMBL13394395 | 0.84 | MCHR1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8080548-B2 | Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders | CENERX BIOPHARMA, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20100099678-A1 | DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | CENERX BIOPHARMA (US) | 2010-04-22 | — | — | US | disclosed |
| US-7632836-B2 | Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders | CENERX BIOPHARMA, INC. (US) | 2009-12-15 | — | — | US | disclosed |