⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7289022 | 0.83 | F2 (0.30) | — | |
| SCHEMBL7289016 | 0.83 | F2 (0.30) | — | |
| SCHEMBL7282769 | 0.75 | — | — | |
| SCHEMBL7282774 | 0.75 | — | — | |
| SCHEMBL17323651 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL7281872 | 0.74 | CHRNB2 (0.30) | — | |
| SCHEMBL7279285 | 0.72 | — | — | |
| SCHEMBL7279289 | 0.72 | — | — | |
| SCHEMBL7279788 | 0.71 | — | — | |
| SCHEMBL7279792 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0166422-A1 | Dihydropyridine derivatives, processes and intermediates for their preparation and pharmaceutical preparations containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-01-02 | — | — | EP | disclosed |