⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9330424 | 0.86 | — | — | |
| SCHEMBL9332740 | 0.84 | — | — | |
| SCHEMBL9329432 | 0.72 | — | — | |
| SCHEMBL9329873 | 0.71 | — | — | |
| SCHEMBL8848424 | 0.70 | — | — | |
| SCHEMBL97132 | 0.69 | — | — | |
| SCHEMBL9329879 | 0.69 | — | — | |
| SCHEMBL2303905 | 0.69 | — | — | |
| SCHEMBL28502466 | 0.65 | — | — | |
| SCHEMBL6244570 | 0.65 | — | — |
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-0235942-B1 | Alkylenediamine derivatives | NIPPON CHEMIPHAR CO (JP) | 1994-03-23 | — | — | EP | claimed |