⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL998175 | 0.79 | — | — | |
| SCHEMBL21197612 | 0.77 | — | — | |
| SCHEMBL25189574 | 0.74 | SHBG (0.31) | — | |
| SCHEMBL8054614 | 0.74 | SHBG (0.31) | — | |
| SCHEMBL7065566 | 0.70 | SIGMAR1 (0.34) | — | |
| SCHEMBL28855138 | 0.70 | — | — | |
| Acetic Acid SCHEMBL453529 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL22169227 | 0.69 | — | — | |
| SCHEMBL1155589 | 0.69 | THRB (0.35) | — | |
| SCHEMBL473092 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7776904-B2 | Azabicyclo [3.1.0] hexylphenyl derivatives as modulators of dopamine D3 receptors | GLAXO GROUP LIMITED (GB) | 2010-08-17 | — | — | US | disclosed |
| US-20090030062-A1 | AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED | 2009-01-29 | — | — | US | disclosed |