⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29131671 | 0.77 | — | — | |
| SCHEMBL5712009 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL1698996 | 0.73 | — | — | |
| SCHEMBL7628702 | 0.70 | — | — | |
| SCHEMBL12354569 | 0.69 | — | — | |
| SCHEMBL147689 | 0.69 | — | — | |
| SCHEMBL8811904 | 0.69 | — | — | |
| SCHEMBL4494018 | 0.68 | TDP1 (0.39) | — | |
| SCHEMBL10470259 | 0.67 | SOAT1 (0.32) | — | |
| SCHEMBL5948367 | 0.67 | — | — |
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-2004009605-A2 | CONTROLLED ROOM TEMPERATURE SYNTHESIS OF MAGNETIC METAL OXIDE NANOCLUSTERS WITHIN A DIBLOCK COPOLYMER MATRIX | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2004-01-29 | — | — | WO | disclosed |