⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13696505 | 0.72 | CASP3 (0.33) | — | |
| SCHEMBL12762316 | 0.72 | CASP3 (0.33) | — | |
| SCHEMBL15800377 | 0.72 | CASP3 (0.33) | — | |
| SCHEMBL24717967 | 0.72 | PDK1 (0.31) | — | |
| SCHEMBL16221560 | 0.72 | CASP3 (0.33) | — | |
| SCHEMBL23267622 | 0.72 | PDK1 (0.31) | — | |
| SCHEMBL14878192 | 0.72 | PDK1 (0.31) | — | |
| SCHEMBL23267617 | 0.72 | CASP3 (0.33) | — | |
| SCHEMBL13709648 | 0.72 | CASP3 (0.33) | — | |
| SCHEMBL25958956 | 0.72 | PDK1 (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 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 |