⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16808778 | 0.79 | PDE2A (0.30) | — | |
| SCHEMBL13902041 | 0.78 | — | — | |
| SCHEMBL18244812 | 0.77 | — | — | |
| SCHEMBL13445272 | 0.74 | — | — | |
| SCHEMBL13626231 | 0.74 | — | — | |
| SCHEMBL16526228 | 0.74 | FDPS (0.31) | — | |
| SCHEMBL18245368 | 0.73 | PDE2A (0.31) | — | |
| SCHEMBL17085492 | 0.73 | PDE2A (0.31) | — | |
| SCHEMBL16352701 | 0.73 | — | — | |
| SCHEMBL16938873 | 0.72 | — | — |
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-8846899-B2 | Maltoside and phosphocholine derivatives, uses thereof and methods of preparing artificial lipid structures thereof | ANATRACE PRODUCTS, LLC (US) | 2014-09-30 | — | — | US | disclosed |
| WO-2014144878-A2 | NOVEL THIOL & AMINO MODIFYING REAGENTS FOR PROTEIN CHEMISTRY AND METHODS OF USE THEREOF | THE SCRIPPS RESEARCH INSTITUTE (US) | 2014-09-18 | — | — | WO | disclosed |
| EP-2354163-A2 | Conjugates of duocarmycin and anti-CD70 or anti-PSMA antibodies | Medarex, Inc. (US) | 2011-08-10 | — | — | EP | disclosed |