⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24063256 | 0.60 | — | — | |
| SCHEMBL1618754 | 0.56 | — | — | |
| SCHEMBL9945753 | 0.53 | — | — | |
| SCHEMBL25475113 | 0.53 | — | — | |
| SCHEMBL12798230 | 0.52 | — | — | |
| SCHEMBL1999660 | 0.52 | — | — | |
| SCHEMBL13057800 | 0.51 | — | — | |
| SCHEMBL1075123 | 0.46 | — | — | |
| SCHEMBL329490 | 0.45 | — | — | |
| Lithium SCHEMBL6264089 | 0.45 | — | — |
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-0255075-B1 | 2-(ACYLTHIO)METHYL DIHYDROPYRIDINES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-09-30 | — | — | EP | disclosed |
| US-4935433-A | 2-(acylthio)methyl dihydropyridines, and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) | 1990-06-19 | — | — | US | disclosed |
| EP-0271059-A1 | 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-06-15 | — | — | EP | disclosed |
| EP-0255075-A1 | 2-(acylthio)methyl dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-02-03 | — | — | EP | disclosed |
| CN-86106242-A | 2-sulphomethyl-replacement-1,4-dihydropyridine, its manufacture method and the pharmaceutical composition that contains these compounds | — | 1987-05-13 | — | — | CN | disclosed |