⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8979501 | 0.84 | — | — | |
| SCHEMBL8979506 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL9463327 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL395943 | 0.74 | — | — | |
| SCHEMBL2811957 | 0.74 | — | — | |
| SCHEMBL14697121 | 0.74 | NOTUM (0.33) | — | |
| SCHEMBL23027840 | 0.70 | — | — | |
| SCHEMBL12816495 | 0.70 | — | — | |
| SCHEMBL20663118 | 0.70 | ALDH1A1 (0.60) | — | |
| SCHEMBL15108105 | 0.70 | ACHE (0.37) | — |
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-0499313-B1 | Azabicyclic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME (GB) | 1997-06-11 | — | — | EP | disclosed |
| EP-0499313-A1 | Azabicyclic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-08-19 | — | — | EP | disclosed |