⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5574767 | 0.62 | F2 (0.44) | — | |
| SCHEMBL9579699 | 0.51 | — | — | |
| SCHEMBL9491519 | 0.51 | XIAP (0.40) | — | |
| SCHEMBL2292804 | 0.51 | — | — | |
| SCHEMBL2983549 | 0.44 | — | — | |
| SCHEMBL1004361 | 0.44 | — | — | |
| SCHEMBL8056539 | 0.41 | — | — | |
| Butane SCHEMBL1128083 | 0.41 | — | — | |
| SCHEMBL5340445 | 0.41 | — | — | |
| SCHEMBL5405967 | 0.41 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070258907-A1 | Polymer-coated paramagnetic particles | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2007-11-08 | — | — | US | disclosed |