⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4902564 | 0.73 | RAB9A (0.37) | — | |
| SCHEMBL4908011 | 0.69 | KCNA5 (0.39) | — | |
| SCHEMBL12810071 | 0.68 | — | — | |
| SCHEMBL29556526 | 0.68 | — | — | |
| SCHEMBL4905152 | 0.62 | KDM4E (0.41) | — | |
| SCHEMBL4908287 | 0.62 | MAPK14 (0.37) | — | |
| SCHEMBL2363044 | 0.62 | CYP1A2 (0.41) | — | |
| SCHEMBL18093544 | 0.61 | CYP2A6 (0.46) | — | |
| SCHEMBL16685271 | 0.60 | CYP2A6 (0.54) | — | |
| SCHEMBL25445631 | 0.60 | HDAC8 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080132698-A1 | Use of N-oxide compounds in coupling reactions | UNIVERSITY OF OTTAWA | 2008-06-05 | — | — | US | disclosed |
| US-20080132698-A1 | Use of N-oxide compounds in coupling reactions | UNIVERSITY OF OTTAWA | 2008-06-05 | — | — | US | disclosed |
| US-20080132698-A1 | Use of N-oxide compounds in coupling reactions | UNIVERSITY OF OTTAWA | 2008-06-05 | — | — | US | disclosed |