⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL619371 | 0.64 | LMNA (0.31) | — | |
| SCHEMBL1370210 | 0.64 | — | — | |
| SCHEMBL11103375 | 0.61 | — | — | |
| SCHEMBL230646 | 0.61 | — | — | |
| SCHEMBL5362781 | 0.58 | — | — | |
| SCHEMBL539018 | 0.58 | — | — | |
| SCHEMBL17333212 | 0.58 | — | — | |
| Butane SCHEMBL1159863 | 0.55 | — | — | |
| Butane SCHEMBL663318 | 0.55 | — | — | |
| Butane SCHEMBL27294851 | 0.55 | TSHR (0.40) | — |
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-0088903-A2 | 1,4-Dihydropyridine-3,5-dicarboxylic acid ester derivatives | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1983-09-21 | — | — | EP | disclosed |