⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9946205 | 1.00 | — | — | |
| SCHEMBL27298551 | 0.82 | — | — | |
| SCHEMBL8773006 | 0.80 | — | — | |
| Hexan-3-Ol SCHEMBL15033 | 0.80 | — | — | |
| Hexan-3-Ol SCHEMBL1462441 | 0.80 | — | — | |
| Hexan-3-Ol SCHEMBL464395 | 0.80 | — | — | |
| Hexan-3-Ol SCHEMBL11796163 | 0.80 | LMNA (0.43) | — | |
| SCHEMBL10290649 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL22249 | 0.79 | — | — | |
| SCHEMBL27454228 | 0.79 | — | — |
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-20120149683-A1 | SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK SHARP & DOHME LLC | 2012-06-14 | — | — | US | disclosed |
| EP-1954668-B1 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-28 | — | — | EP | disclosed |