⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7874332 | 0.77 | — | — | |
| SCHEMBL14132816 | 0.77 | — | — | |
| SCHEMBL8221712 | 0.76 | — | — | |
| SCHEMBL7624796 | 0.72 | PDK2 (0.35) | — | |
| SCHEMBL12963989 | 0.71 | YTHDC1 (0.37) | — | |
| SCHEMBL16975637 | 0.64 | HTT (0.42) | — | |
| SCHEMBL20087796 | 0.64 | HTT (0.40) | — | |
| SCHEMBL12755617 | 0.63 | HTT (0.36) | — | |
| SCHEMBL5288824 | 0.63 | — | — | |
| SCHEMBL18617538 | 0.62 | NOS3 (0.34) | — |
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-8323621-B2 | site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle | VANDERBILT UNIVERSITY (US) | 2012-12-04 | — | — | US | disclosed |
| US-20080241074-A1 | MULTI-USE MULTIMODAL IMAGING CHELATES | VANDERBILT UNIVERSITY | 2008-10-02 | — | — | US | disclosed |
| US-20080241074-A1 | MULTI-USE MULTIMODAL IMAGING CHELATES | VANDERBILT UNIVERSITY | 2008-10-02 | — | — | US | disclosed |