⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10021906 | 0.67 | SMPD3 (0.48) | — | |
| SCHEMBL12060188 | 0.63 | — | — | |
| SCHEMBL12778262 | 0.63 | — | — | |
| SCHEMBL12778263 | 0.63 | — | — | |
| SCHEMBL2245301 | 0.63 | — | — | |
| SCHEMBL10719490 | 0.63 | — | — | |
| SCHEMBL6259613 | 0.62 | — | — | |
| SCHEMBL2282179 | 0.60 | — | — | |
| SCHEMBL16994810 | 0.60 | — | — | |
| SCHEMBL13031182 | 0.60 | — | — |
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-2011150156-A2 | HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2011-12-01 | — | — | WO | disclosed |