⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1820701 | 0.75 | — | — | |
| SCHEMBL5713876 | 0.71 | — | — | |
| SCHEMBL5263785 | 0.71 | — | — | |
| SCHEMBL1119631 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL4429853 | 0.68 | — | — | |
| SCHEMBL1134345 | 0.68 | — | — | |
| SCHEMBL1505652 | 0.67 | — | — | |
| SCHEMBL4430000 | 0.67 | — | — | |
| SCHEMBL752148 | 0.65 | — | — | |
| SCHEMBL749800 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0221601-B1 | [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-10 | — | — | EP | disclosed |
| US-5180832-A | Chemical intermediate for thromboxane A2 inhibitor | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-19 | — | — | US | disclosed |
| US-4963573-A | INHIBIT BIOSYNTHESIS OF THROMBOXANE A2 | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-10-16 | — | — | US | disclosed |
| EP-0221601-A1 | [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters | JANSSEN PHARMACEUTICA N.V. (BE) | 1987-05-13 | — | — | EP | disclosed |