⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10685009 | 0.73 | — | — | |
| SCHEMBL3833244 | 0.71 | — | — | |
| SCHEMBL1155743 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL181355 | 0.65 | — | — | |
| SCHEMBL6754466 | 0.64 | — | — | |
| SCHEMBL2124942 | 0.64 | — | — | |
| SCHEMBL10050997 | 0.64 | — | — | |
| SCHEMBL16743519 | 0.62 | — | — | |
| SCHEMBL1655813 | 0.62 | — | — | |
| SCHEMBL7769432 | 0.61 | HDAC3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2009519316-A | — | — | 2009-05-14 | — | — | JP | claimed |
| EP-1960003-A2 | TARGETED NANOPARTICLES FOR MAGNETIC RESONANCE IMAGING | General Electric Company (US) | 2008-08-27 | — | — | EP | claimed |
| US-20070140974-A1 | Targeted nanoparticles for magnetic resonance imaging | GENERAL ELECTRIC COMPANY (US) | 2007-06-21 | — | — | US | claimed |
| WO-2007069040-A2 | TARGETED NANOPARTICLES FOR MAGNETIC RESONANCE IMAGING | GENERAL ELECTRIC COMPANY (US) | 2007-06-21 | — | — | WO | claimed |