⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24847400 | 0.65 | PER2 (0.35) | — | |
| SCHEMBL13105463 | 0.62 | — | — | |
| SCHEMBL13336868 | 0.62 | — | — | |
| SCHEMBL22642356 | 0.61 | PIK3CD (0.34) | — | |
| SCHEMBL9835369 | 0.61 | TSHR (0.37) | — | |
| SCHEMBL24335867 | 0.60 | PKM (0.30) | — | |
| SCHEMBL16252942 | 0.60 | LMNA (0.37) | — | |
| SCHEMBL24567501 | 0.60 | FAAH (0.35) | — | |
| SCHEMBL10031602 | 0.60 | LMNA (0.58) | — | |
| SCHEMBL10001843 | 0.60 | LMNA (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090069569-A1 | CYCLOADDITION OF AZIDES AND ALKYNES | INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) | 2009-03-12 | — | — | US | disclosed |