⚠ 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 | |
|---|---|---|---|---|
| Methoxymethane SCHEMBL2774166 | 0.89 | — | — | |
| Methylene Chloride SCHEMBL9625167 | 0.84 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL992285 | 0.84 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL4784041 | 0.84 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL292514 | 0.84 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL4933917 | 0.84 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL1832445 | 0.84 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL7090995 | 0.84 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL2031974 | 0.84 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL3199266 | 0.84 | ALDH1A1 (0.57) | — |
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-1926711-A1 | NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE | F.HOFFMANN-LA ROCHE AG (CH) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007031429-A1 | NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-22 | — | — | WO | disclosed |