⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13019275 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL1322921 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL31549514 | 0.76 | — | — | |
| SCHEMBL34470571 | 0.70 | — | — | |
| SCHEMBL7074288 | 0.69 | CYP2D6 (0.51) | — | |
| SCHEMBL875797 | 0.68 | — | — | |
| SCHEMBL11502705 | 0.68 | — | — | |
| SCHEMBL284220 | 0.67 | — | — | |
| SCHEMBL13214267 | 0.67 | — | — | |
| SCHEMBL17241926 | 0.65 | HSP90AA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120082728-A1 | MULTIFUNCTIONAL STEALTH NANOPARTICULES FOR BIOMEDICAL USE | UNIVERSITE DE STRASBOURG (FR) | 2012-04-05 | — | — | US | disclosed |
| US-20120082728-A1 | MULTIFUNCTIONAL STEALTH NANOPARTICULES FOR BIOMEDICAL USE | UNIVERSITE DE STRASBOURG (FR) | 2012-04-05 | — | — | US | disclosed |
| WO-2010084157-A2 | MULTIFUNCTIONAL STEALTH NANOPARTICLES FOR BIOMEDICAL USE | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2010-07-29 | — | — | WO | disclosed |