⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7279792 | 1.00 | — | — | |
| SCHEMBL7292263 | 0.81 | — | — | |
| SCHEMBL7292270 | 0.81 | — | — | |
| SCHEMBL7279289 | 0.79 | — | — | |
| SCHEMBL7279285 | 0.79 | — | — | |
| SCHEMBL23732894 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL7280343 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL10667175 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL8919021 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL10665598 | 0.73 | CA14 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4742069-A | CALCIUM ANTAGONIST, ANTIANGINA, ANTIISCHEMIC, HYPOTENSIVE | HOFFMANN-LA ROCHE INC. (US) | 1988-05-03 | — | — | US | disclosed |
| 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 |