⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18991203 | 0.69 | — | — | |
| SCHEMBL13615530 | 0.66 | KMT2A (0.34) | — | |
| SCHEMBL15186924 | 0.64 | BRD4 (0.35) | — | |
| SCHEMBL4145685 | 0.58 | ADORA2A (0.39) | — | |
| SCHEMBL28274631 | 0.58 | ALB (0.30) | — | |
| SCHEMBL24665501 | 0.56 | ALDH1A1 (0.39) | — | |
| SCHEMBL8876423 | 0.56 | KDM4E (0.42) | — | |
| SCHEMBL23749481 | 0.56 | KDM4E (0.39) | — | |
| SCHEMBL4623309 | 0.55 | MAPT (0.39) | — | |
| SCHEMBL9802893 | 0.55 | KMT2A (0.41) | — |
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-1748078-A2 | Methods, kits and compositions of combination oligomers | Boston Probes, Inc. (US) | 2007-01-31 | — | — | EP | disclosed |