⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11860506 | 0.84 | — | — | |
| SCHEMBL4938112 | 0.82 | — | — | |
| SCHEMBL199851 | 0.82 | — | — | |
| SCHEMBL11490894 | 0.82 | — | — | |
| SCHEMBL11646732 | 0.79 | — | — | |
| SCHEMBL11424286 | 0.79 | — | — | |
| SCHEMBL15375741 | 0.79 | — | — | |
| SCHEMBL4892754 | 0.79 | TSHR (0.52) | — | |
| SCHEMBL614356 | 0.79 | — | — | |
| SCHEMBL5494593 | 0.79 | — | — |
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-0104644-A2 | Polymeric composition containing diazabicycloalkanes | The B.F. GOODRICH Company (US) | 1984-04-04 | — | — | EP | disclosed |