⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12609541 | 0.84 | — | — | |
| SCHEMBL12609543 | 0.84 | — | — | |
| SCHEMBL12609641 | 0.84 | — | — | |
| SCHEMBL12609781 | 0.82 | — | — | |
| SCHEMBL12609908 | 0.82 | — | — | |
| SCHEMBL12609777 | 0.82 | — | — | |
| SCHEMBL12610119 | 0.81 | SLC6A3 (0.67) | — | |
| SCHEMBL12610121 | 0.81 | SLC6A3 (0.67) | — | |
| SCHEMBL17224074 | 0.80 | — | — | |
| SCHEMBL12610035 | 0.77 | — | — |
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-3174886-B1 | 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2021-02-17 | — | — | EP | disclosed |