⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27461833 | 0.80 | HIF1A (0.37) | — | |
| SCHEMBL27479576 | 0.72 | HDAC3 (0.31) | — | |
| SCHEMBL1757441 | 0.72 | — | — | |
| SCHEMBL16244765 | 0.71 | — | — | |
| SCHEMBL29233703 | 0.71 | — | — | |
| SCHEMBL23795825 | 0.71 | — | — | |
| SCHEMBL2105377 | 0.67 | — | — | |
| SCHEMBL22915854 | 0.67 | — | — | |
| SCHEMBL28692026 | 0.67 | — | — | |
| SCHEMBL2105336 | 0.65 | MEN1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0667855-B1 | SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LAB (US) | 1999-03-24 | — | — | EP | disclosed |
| US-5616596-A | Substituted arylalkynyl-and heteroarylalkynl-N-hydroxyurea inhibitors of leukotriene biosynthesis | ABBOTT LABORATORIES (US) | 1997-04-01 | — | — | US | disclosed |
| EP-0667855-A4 | SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. | ABBOTT LAB (US) | 1996-02-21 | — | — | EP | disclosed |
| EP-0667855-A1 | SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1995-08-23 | — | — | EP | disclosed |
| WO-1994011342-A1 | SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1994-05-26 | — | — | WO | disclosed |