⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3751301 | 0.85 | SLC6A3 (0.41) | — | |
| SCHEMBL17011876 | 0.85 | GSR (0.52) | — | |
| SCHEMBL18833177 | 0.78 | — | — | |
| SCHEMBL9776472 | 0.78 | — | — | |
| SCHEMBL4452846 | 0.78 | GPR84 (0.37) | — | |
| SCHEMBL22844023 | 0.77 | KMT2A (0.50) | — | |
| SCHEMBL323329 | 0.76 | — | — | |
| SCHEMBL11813333 | 0.76 | — | — | |
| SCHEMBL3963535 | 0.76 | SLC6A2 (0.56) | — | |
| SCHEMBL11809830 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421523-A1 | METHOD OF TREATING OR PREVENTING A CONVULSIVE DISORDER IN A PATIENT IN NEED THEREOF | Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121969-A1 | METHOD OF TREATING OR PREVENTING A CONVULSIVE DISORDER IN A PATIENT IN NEED THEREOF | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2010-10-28 | — | — | WO | disclosed |
| CN-101848905-A | Process for the enantioselective preparation of pregabalin | ESTEVE LABOR DR | 2010-09-29 | — | — | CN | disclosed |