⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19008 | 0.78 | — | — | |
| SCHEMBL7325266 | 0.78 | — | — | |
| SCHEMBL8769331 | 0.74 | — | — | |
| SCHEMBL1416121 | 0.74 | — | — | |
| SCHEMBL4195223 | 0.74 | — | — | |
| SCHEMBL17097792 | 0.74 | — | — | |
| SCHEMBL16115805 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL355711 | 0.72 | — | — | |
| SCHEMBL17048790 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL17048822 | 0.70 | — | — |
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-4918074-A | CALCIUM ANTAGONISTS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0217142-A2 | A polyazaheterocyclic compound | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1987-04-08 | — | — | EP | disclosed |