⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL790604 | 0.64 | — | — | |
| SCHEMBL9671898 | 0.64 | PYGM (0.43) | — | |
| SCHEMBL8471687 | 0.61 | — | — | |
| SCHEMBL12147320 | 0.59 | — | — | |
| SCHEMBL11803519 | 0.57 | — | — | |
| SCHEMBL11803531 | 0.57 | — | — | |
| SCHEMBL11803524 | 0.57 | — | — | |
| SCHEMBL14072021 | 0.56 | — | — | |
| SCHEMBL11592009 | 0.56 | — | — | |
| SCHEMBL2447053 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0172140-B1 | PROCESS FOR THE PREPARATION OF PYRIDINE-2,3-DICARBOXYLIC-ACID DERIVATIVES AND 1-AMINO-1,2,3,4-TETRAHYDRO-PYRIDINE-2,3-DICARBOXYLIC ACID DERIVATIVES AND 2,4-DIHYDROPYRIDINE-2,3-DICARBOXYLIC-ACID DERIVATIVES | CIBA-GEIGY AG (CH) | 1989-09-06 | — | — | EP | claimed |
| US-20120022088-A1 | PHARMACEUTICAL COMBINATION OF 5-FLUOROURACIL AND DERIVATE OF 1,4-DIHYDROPYRIDINE AND ITS USE IN THE TREATMENT OF CANCER | JSC GRINDEKS (LV) | 2012-01-26 | — | — | US | disclosed |