⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7089144 | 0.83 | — | — | |
| SCHEMBL14459424 | 0.81 | — | — | |
| SCHEMBL16512147 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL19874049 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL16550173 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL13322453 | 0.75 | HIF1A (0.32) | — | |
| SCHEMBL6266447 | 0.75 | — | — | |
| SCHEMBL6266445 | 0.75 | — | — | |
| SCHEMBL13322461 | 0.73 | HIF1A (0.30) | — | |
| SCHEMBL13590039 | 0.73 | HIF1A (0.30) | — |
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-20090023704-A1 | Novel Compounds 737 | ASTRAZENECA AB (SE) | 2009-01-22 | — | — | US | disclosed |
| WO-2003084662-A2 | COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS | CELANESE VENTURES GMBH (DE) | 2003-10-16 | — | — | WO | disclosed |