⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8109303 | 0.85 | — | — | |
| SCHEMBL496447 | 0.72 | HTR4 (0.48) | — | |
| SCHEMBL496435 | 0.72 | GAA (0.41) | — | |
| SCHEMBL3668373 | 0.66 | ROCK1 (0.35) | — | |
| SCHEMBL496329 | 0.66 | HIF1A (0.43) | — | |
| SCHEMBL496625 | 0.66 | FUCA1 (0.33) | — | |
| SCHEMBL496624 | 0.66 | FUCA1 (0.33) | — | |
| SCHEMBL2450556 | 0.65 | HCRTR1 (0.45) | — | |
| SCHEMBL496272 | 0.65 | HCRTR1 (0.45) | — | |
| SCHEMBL3671608 | 0.64 | KDM4E (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2164847-B1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-09-14 | — | — | EP | disclosed |
| WO-2009004584-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-01-08 | — | — | WO | disclosed |