⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1065866 | 1.00 | — | — | |
| SCHEMBL5068306 | 0.79 | SMPD1 (0.32) | — | |
| SCHEMBL5059478 | 0.79 | SMPD1 (0.32) | — | |
| SCHEMBL5059477 | 0.77 | BTN3A1 (0.40) | — | |
| SCHEMBL5064882 | 0.77 | BTN3A1 (0.40) | — | |
| SCHEMBL2585100 | 0.68 | — | — | |
| SCHEMBL4301895 | 0.68 | — | — | |
| SCHEMBL3628442 | 0.61 | CTSA (0.50) | — | |
| SCHEMBL14941406 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL22367758 | 0.57 | CTSA (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040176570-A1 | Intermediates and enzymes of the non-mevalonate isoprenoid pathway | ROHDICH, FELIX (DE) | 2004-09-09 | — | — | US | claimed |
| EP-1377663-A2 | INTERMEDIATES AND ENZYMES OF THE NON-MEVALONATE ISOPRENOID PATHWAY | Bacher, Adelbert (DE) | 2004-01-07 | — | — | EP | claimed |
| WO-2002083720-A2 | INTERMEDIATES AND ENZYMES OF THE NON-MEVALONATE ISOPRENOID PATHWAY | BACHER ADELBERT (DE) | 2002-10-24 | — | — | WO | claimed |