⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9733202 | 0.75 | — | — | |
| SCHEMBL13531717 | 0.73 | — | — | |
| SCHEMBL492196 | 0.73 | — | — | |
| SCHEMBL28356166 | 0.71 | — | — | |
| SCHEMBL724826 | 0.71 | — | — | |
| SCHEMBL5956978 | 0.71 | — | — | |
| SCHEMBL3650467 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28741632 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL5043231 | 0.71 | — | — | |
| SCHEMBL17665878 | 0.69 | — | — |
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-0458823-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES. | BOEHRINGER MANNHEIM ITALIA (IT) | 1991-12-04 | — | — | EP | disclosed |
| WO-1990009376-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1990-08-23 | — | — | WO | disclosed |
| EP-0002208-A1 | Nitro 1,4-dihydropyridines, medicaments containing them and their manufacture | BAYER AG (DE) | 1979-06-13 | — | — | EP | disclosed |