⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14755359 | 0.79 | — | — | |
| SCHEMBL7327638 | 0.74 | OPRM1 (0.31) | — | |
| SCHEMBL6576075 | 0.71 | — | — | |
| SCHEMBL6576076 | 0.71 | — | — | |
| SCHEMBL25327796 | 0.69 | DPP4 (0.34) | — | |
| SCHEMBL3979443 | 0.68 | HRH3 (0.38) | — | |
| SCHEMBL25328629 | 0.68 | CHRM2 (0.41) | — | |
| SCHEMBL24300366 | 0.67 | DPP4 (0.31) | — | |
| Bromide SCHEMBL6890863 | 0.67 | KDM4E (0.37) | — | |
| SCHEMBL4538423 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120059008-A1 | DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | CENERX BIOPHARMA, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| 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-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-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 |
| 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 |
| US-20090111813-A1 | Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders | CENERX BIOPHARMA, INC. (US) | 2009-04-30 | — | — | US | disclosed |
| US-20090111813-A1 | Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders | CENERX BIOPHARMA, INC. (US) | 2009-04-30 | — | — | US | disclosed |