⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7290538 | 0.81 | HTR2C (0.33) | — | |
| SCHEMBL7299115 | 0.79 | PKM (0.32) | — | |
| SCHEMBL7298705 | 0.79 | HTR2C (0.32) | — | |
| SCHEMBL7298538 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL7298521 | 0.76 | KMT2A (0.32) | — | |
| SCHEMBL7290527 | 0.75 | P2RY1 (0.34) | — | |
| SCHEMBL7300637 | 0.72 | HTR1A (0.33) | — | |
| SCHEMBL8388052 | 0.69 | CCR8 (0.38) | — | |
| SCHEMBL30609093 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL7300098 | 0.67 | — | — |
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-5260444-A | Cardiovascular, hypotensive | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1993-11-09 | — | — | US | disclosed |
| US-5208245-A | Hypotensive agents | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1993-05-04 | — | — | US | disclosed |
| EP-0460418-A2 | Novel Dihydropyridine derivative | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1991-12-11 | — | — | EP | disclosed |