⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6545486 | 0.97 | KDM4E (0.30) | — | |
| SCHEMBL6545347 | 0.96 | KDM4E (0.31) | — | |
| SCHEMBL12224639 | 0.92 | HPGD (0.31) | — | |
| SCHEMBL12224598 | 0.92 | HPGD (0.31) | — | |
| SCHEMBL12224507 | 0.92 | HPGD (0.31) | — | |
| SCHEMBL40624 | 0.92 | PDK2 (0.33) | — | |
| SCHEMBL31564893 | 0.92 | PDK2 (0.33) | — | |
| SCHEMBL4830511 | 0.92 | PDK2 (0.33) | — | |
| SCHEMBL29622840 | 0.92 | PDK2 (0.33) | — | |
| SCHEMBL17470309 | 0.90 | PDK2 (0.31) | — |
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-2016009231-A1 | NANOPARTICLES | THE UNIVERSITY OF MANCHESTER (GB) | 2016-01-21 | — | — | WO | disclosed |