⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18121152 | 0.92 | PAOX (0.61) | — | |
| SCHEMBL19816430 | 0.90 | PAOX (0.65) | — | |
| SCHEMBL31376726 | 0.82 | — | — | |
| SCHEMBL676728 | 0.82 | LMNA (0.61) | — | |
| SCHEMBL7651766 | 0.82 | CES1 (0.72) | — | |
| SCHEMBL5049781 | 0.82 | CES1 (0.72) | — | |
| SCHEMBL5633290 | 0.79 | CES1 (0.68) | — | |
| SCHEMBL13115068 | 0.79 | — | — | |
| SCHEMBL219402 | 0.77 | — | — | |
| SCHEMBL23735954 | 0.74 | CES1 (0.62) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2445874-B1 | PROCESS OF PREPARATION OF 2-ACETYL-1-PYRROLINE AND A STABLE PRECURSOR THEREOF, ISOTOPICALLY LABELLED OR NOT | CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) | 2017-11-29 | — | — | EP | disclosed |
| US-8597706-B2 | Method for synthesizing 2-acetyl-1-pyrroline, stable ketal precursors thereof, and isotopically marked analogs | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2013-12-03 | — | — | US | disclosed |
| EP-2445874-A1 | METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED | Centre National De La Recherche Scientifique CNRS (FR) | 2012-05-02 | — | — | EP | disclosed |
| US-20120100274-A1 | METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED | UNIVERSITE DE MONTPELLIER (FR) | 2012-04-26 | — | — | US | disclosed |
| WO-2010149744-A1 | METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2010-12-29 | — | — | WO | disclosed |