⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5857403 | 0.89 | THRB (0.31) | — | |
| SCHEMBL3279169 | 0.89 | THRB (0.31) | — | |
| SCHEMBL3279395 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL2513861 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL13063458 | 0.80 | — | — | |
| SCHEMBL3279202 | 0.77 | ALOX15 (0.30) | — | |
| SCHEMBL7641162 | 0.76 | LMNA (0.42) | — | |
| SCHEMBL7643011 | 0.76 | LMNA (0.42) | — | |
| SCHEMBL24871088 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL13897046 | 0.75 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1280765-A2 | FLUOROUS TAGGING COMPOUNDS AND THEIR USE | UNIVERSITY OF PITTSBURGH (US) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001085675-A2 | FLUOROUS TAGGING COMPOUNDS AND THEIR USE | UNIVERSITY OF PITTSBURGH (US) | 2001-11-15 | — | — | WO | disclosed |