⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3189308 | 0.56 | — | — | |
| SCHEMBL22689369 | 0.51 | — | — | |
| SCHEMBL2045285 | 0.50 | — | — | |
| SCHEMBL9871578 | 0.46 | — | — | |
| SCHEMBL6048993 | 0.43 | — | — | |
| SCHEMBL4354634 | 0.43 | — | — | |
| SCHEMBL21947379 | 0.43 | — | — | |
| SCHEMBL3676206 | 0.37 | — | — | |
| SCHEMBL433010 | 0.37 | — | — | |
| Lindane SCHEMBL22367571 | 0.34 | LMNA (0.62) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2340248-B1 | METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY | UNIV CALIFORNIA (US) | 2017-05-31 | — | — | EP | disclosed |