⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11044962 | 0.91 | F2 (0.35) | — | |
| SCHEMBL9115684 | 0.85 | KMT2A (0.33) | — | |
| SCHEMBL23475164 | 0.81 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL14529344 | 0.77 | NSD2 (0.37) | — | |
| SCHEMBL2326162 | 0.76 | GBA1 (0.39) | — | |
| SCHEMBL14529349 | 0.76 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL12243196 | 0.75 | — | — | |
| SCHEMBL1706254 | 0.75 | YTHDF2 (0.33) | — | |
| SCHEMBL11042421 | 0.73 | GLB1 (0.52) | — | |
| SCHEMBL13073691 | 0.71 | CHRM2 (0.32) | — |
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-4451473-A | 3,7-Diazabicyclo [3.3.1] nonanes having anti-arrhythmic activity | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1984-05-29 | — | — | US | disclosed |