⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8237782 | 0.79 | — | — | |
| SCHEMBL23916216 | 0.77 | — | — | |
| SCHEMBL17253332 | 0.76 | HCAR2 (0.37) | — | |
| SCHEMBL7720569 | 0.69 | — | — | |
| SCHEMBL5020589 | 0.69 | — | — | |
| SCHEMBL4572535 | 0.69 | — | — | |
| SCHEMBL9679823 | 0.67 | — | — | |
| SCHEMBL9679825 | 0.67 | — | — | |
| SCHEMBL21339352 | 0.67 | — | — | |
| SCHEMBL12948850 | 0.67 | — | — |
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-7482336-B2 | Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2009-01-27 | — | — | US | disclosed |
| US-20070254865-A1 | 2-substituted phenyl-5-fused heteroaryl cyclohexylamines; may be coadministered with metformin; non-insulin dependent diabetes | MERCK SHARP & DOHME LLC | 2007-11-01 | — | — | US | disclosed |