⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1852845 | 0.78 | — | — | |
| SCHEMBL8956840 | 0.76 | — | — | |
| Acetonitrile SCHEMBL1847343 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL2222142 | 0.69 | — | — | |
| SCHEMBL6728630 | 0.69 | — | — | |
| SCHEMBL9228631 | 0.67 | — | — | |
| SCHEMBL8365432 | 0.67 | — | — | |
| SCHEMBL11327894 | 0.65 | — | — | |
| SCHEMBL3804825 | 0.65 | — | — | |
| SCHEMBL28221537 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1895008-A2 | Isoprenoid biosynthesis | Bacher, Adelbert (DE) | 2008-03-05 | — | — | EP | disclosed |
| EP-1198575-B1 | ISOPRENOID BIOSYNTHESIS | BACHER ADELBERT (DE) | 2007-09-19 | — | — | EP | disclosed |
| US-7122331-B1 | Isoprenoid biosynthesis | EISENREICH WOLFGANG | 2006-10-17 | — | — | US | disclosed |
| EP-1198575-A1 | ISOPRENOID BIOSYNTHESIS | Bacher, Adelbert (DE) | 2002-04-24 | — | — | EP | disclosed |
| WO-2001011055-A1 | ISOPRENOID BIOSYNTHESIS | BACHER ADELBERT (DE) | 2001-02-15 | — | — | WO | disclosed |