⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9761067 | 0.79 | — | — | |
| SCHEMBL7356437 | 0.70 | — | — | |
| SCHEMBL7266811 | 0.70 | — | — | |
| SCHEMBL7272628 | 0.70 | — | — | |
| SCHEMBL7266255 | 0.70 | — | — | |
| SCHEMBL7273627 | 0.70 | — | — | |
| SCHEMBL27706270 | 0.64 | — | — | |
| SCHEMBL23761087 | 0.64 | — | — | |
| SCHEMBL17611074 | 0.64 | — | — | |
| SCHEMBL9504234 | 0.63 | NOS1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5075324-A | ARALKYL-1,4-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1991-12-24 | — | — | US | disclosed |
| WO-1988005043-A1 | NEW ARALKYL-1,4-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1988-07-14 | — | — | WO | disclosed |
| EP-0272693-A2 | New aralkyl-1,4-dihydropyridines, a method for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-06-29 | — | — | EP | disclosed |