⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL253526 | 0.97 | — | — | |
| SCHEMBL28070512 | 0.95 | — | — | |
| SCHEMBL166053 | 0.81 | FOLH1 (0.32) | — | |
| SCHEMBL7008079 | 0.75 | — | — | |
| SCHEMBL6781632 | 0.75 | — | — | |
| SCHEMBL446215 | 0.75 | — | — | |
| SCHEMBL2476401 | 0.75 | FOLH1 (0.31) | — | |
| SCHEMBL20488819 | 0.74 | HCAR2 (0.32) | — | |
| Lithium Ion SCHEMBL31020254 | 0.73 | — | — | |
| SCHEMBL27596102 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005114683-A1 | MAGNETISABLE COMPOSITION AND MAGNETIC MATERIAL COMPRISING THE SAME | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2005-12-01 | — | — | WO | disclosed |