⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21500171 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL5390855 | 0.77 | MAP3K14 (0.36) | — | |
| SCHEMBL8147873 | 0.75 | — | — | |
| SCHEMBL3489917 | 0.75 | — | — | |
| SCHEMBL17073004 | 0.75 | — | — | |
| SCHEMBL3489913 | 0.75 | — | — | |
| SCHEMBL12620214 | 0.71 | — | — | |
| SCHEMBL31265110 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL9617095 | 0.67 | MEN1 (0.34) | — | |
| SCHEMBL17329444 | 0.67 | MEN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015134467-A1 | METHODS AND COMPOSITIONS FOR DIRECT RADIOACTIVE LABELING OF BIO-ACTIVE MOLECULES AND BUILDING BLOCKS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2015-09-11 | — | — | WO | disclosed |