⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4454910 | 0.79 | — | — | |
| SCHEMBL29949252 | 0.79 | — | — | |
| SCHEMBL14865869 | 0.78 | CPA1 (0.40) | — | |
| SCHEMBL2128235 | 0.77 | CPA1 (0.44) | — | |
| SCHEMBL3834646 | 0.73 | — | — | |
| SCHEMBL27397277 | 0.71 | — | — | |
| SCHEMBL899456 | 0.71 | — | — | |
| SCHEMBL264872 | 0.70 | — | — | |
| SCHEMBL11155338 | 0.69 | — | — | |
| SCHEMBL18463625 | 0.69 | CPA1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110862322-B | Synthetic method of pregabalin intermediate ethyl 2-acetyl-3-nitromethylene-5-methyl-hexanoate | 陕西科技大学 | 2023-06-30 | — | — | CN | disclosed |
| CN-110862322-A | Synthetic method of pregabalin intermediate 2-acetyl-3-nitromethylene-5-methyl-ethyl hexanoate | 陕西科技大学 | 2020-03-06 | — | — | CN | disclosed |
| EP-3154930-A1 | METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS | Siegfried Ltd. (CH) | 2017-04-19 | — | — | EP | disclosed |
| WO-2015189068-A1 | METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS | SIEGFRIED LTD. (CH) | 2015-12-17 | — | — | WO | disclosed |
| WO-2008117305-A2 | A NOVEL PROCESS FOR PREPARING PREGABALIN AND ITS ACID ADDITION SALTS | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2008-10-02 | — | — | WO | disclosed |