⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10581335 | 0.89 | THRB (0.71) | — | |
| SCHEMBL7157355 | 0.89 | THRB (0.71) | — | |
| SCHEMBL9742446 | 0.89 | THRB (0.71) | — | |
| SCHEMBL2207927 | 0.89 | THRB (0.71) | — | |
| SCHEMBL1954558 | 0.85 | THRB (0.67) | — | |
| SCHEMBL1284760 | 0.80 | THRB (0.53) | — | |
| SCHEMBL320930 | 0.80 | THRB (0.53) | — | |
| SCHEMBL1077682 | 0.78 | THRB (0.50) | — | |
| SCHEMBL6235810 | 0.78 | THRB (0.50) | — | |
| SCHEMBL1746816 | 0.78 | THRB (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011031865-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2011-03-17 | — | — | WO | disclosed |
| US-7553462-B2 | Method for the production of Mg (OH)2 nanoparticles | K&S Aktiengesellschaft (DE) | 2009-06-30 | — | — | US | disclosed |
| US-20080181844-A1 | Method for the production of Mg (OH)2 nanoparticles | K+S AKTIENGESELLSCHAFT (DE) | 2008-07-31 | — | — | US | disclosed |
| US-20070129503-A1 | Poly(trimethylene terephthalate)/poly(alpha-hydroxy acid) molded, shaped articles | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-06-07 | — | — | US | disclosed |