⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2063191 | 0.81 | — | — | |
| SCHEMBL2305441 | 0.55 | — | — | |
| SCHEMBL419346 | 0.49 | — | — | |
| SCHEMBL8044687 | 0.46 | — | — | |
| Phosphine SCHEMBL10401400 | 0.46 | — | — | |
| SCHEMBL8092434 | 0.46 | — | — | |
| SCHEMBL6336645 | 0.46 | — | — | |
| SCHEMBL10276 | 0.46 | — | — | |
| SCHEMBL119955 | 0.46 | — | — | |
| Carbon Dioxide SCHEMBL71642 | 0.45 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0487095-B1 | Pyridyl derivatives, medicines containing these compounds and processes for their preparation | THOMAE GMBH DR K (DE) | 1996-02-28 | — | — | EP | disclosed |
| US-5286736-A | Thromboxane antagonists and thromboxane synthetase inhibitors | DR. KARL THOMAE GMBH (DE) | 1994-02-15 | — | — | US | disclosed |
| EP-0487095-A1 | Pyridyl derivatives, medicines containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1992-05-27 | — | — | EP | disclosed |