⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10083606 | 1.00 | — | — | |
| SCHEMBL22019480 | 0.81 | — | — | |
| SCHEMBL1121579 | 0.80 | — | — | |
| SCHEMBL18026348 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL19918802 | 0.79 | — | — | |
| SCHEMBL20858070 | 0.79 | — | — | |
| SCHEMBL8445382 | 0.79 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL19559003 | 0.77 | KDM4E (0.50) | — | |
| SCHEMBL19171550 | 0.77 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL19115746 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9550000-B2 | Compositions, methods, and systems for the synthesis and use of imaging agents | LANTHEUS MEDICAL IMAGING, INC. (US) | 2017-01-24 | — | — | US | disclosed |
| US-20140328756-A1 | COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS | LANTHEUS MEDICAL IMAGING, INC. (US) | 2014-11-06 | — | — | US | disclosed |