⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6569757 | 0.72 | GRM1 (0.30) | — | |
| SCHEMBL14275517 | 0.69 | — | — | |
| SCHEMBL9508162 | 0.66 | TDP1 (0.35) | — | |
| SCHEMBL7165569 | 0.65 | NFKB1 (0.40) | — | |
| SCHEMBL369468 | 0.65 | CYP1A2 (0.33) | — | |
| SCHEMBL9509408 | 0.64 | GAA (0.31) | — | |
| SCHEMBL47824 | 0.63 | GABRP (0.37) | — | |
| SCHEMBL27996364 | 0.61 | MEN1 (0.32) | — | |
| SCHEMBL28808735 | 0.60 | MEN1 (0.31) | — | |
| SCHEMBL21881997 | 0.60 | GABRP (0.56) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1226133-B1 | N-SUBSTITUTED 3-AMINO-2,2-DI-C-ALKYL-1,4-BUTYROLACTONES AND 1,4-THIOBUTYROLACTONES FOR USE AS PROMOTER OF $g(g)-AMINOBUTYRIC ACID ACTIVITY AND FOR TREATING NERVOUS DISORDERS AND PREPARATION METHOD | CENTRE NAT RECH SCIENT (FR) | 2004-04-07 | — | — | EP | disclosed |
| US-6660769-B1 | The presence of a substituted amine functional group in the C-3 position of 2,2-dialkyl-1,4-butyrolactones leads to a greater enhancement in GABA effects | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2003-12-09 | — | — | US | disclosed |
| EP-1226133-A2 | N-SUBSTITUTED 3-AMINO-2,2-DI-C-ALKYL-1,4-BUTYROLACTONES AND 1,4-THIOBUTYROLACTONES FOR USE AS PROMOTER OF $g(g)-AMINOBUTYRIC ACID ACTIVITY AND FOR TREATING NERVOUS DISORDERS AND PREPARATION METHOD | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001029017-A2 | N-SUBSTITUTED 3-AMINO-2,2-DI-C-ALKYL-1,4-BUTYROLACTONES AND 1,4-THIOBUTYROLACTONES FOR USE AS PROMOTER OF η-AMINOBUTYRIC ACID ACTIVITY AND FOR TREATING NERVOUS DISORDERS AND PREPARATION METHOD | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2001-04-26 | — | — | WO | disclosed |