⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13108811 | 0.70 | — | — | |
| SCHEMBL5227260 | 0.70 | — | — | |
| SCHEMBL23794882 | 0.68 | HSD17B10 (0.52) | — | |
| SCHEMBL15836958 | 0.65 | — | — | |
| SCHEMBL196716 | 0.65 | — | — | |
| SCHEMBL22300591 | 0.64 | JAK3 (0.32) | — | |
| SCHEMBL7789704 | 0.64 | MEN1 (0.32) | — | |
| SCHEMBL2001220 | 0.62 | — | — | |
| SCHEMBL1258396 | 0.62 | — | — | |
| SCHEMBL1996464 | 0.61 | NPC1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101687011-A | Novel treatment for chemical substance addiction | DICKSON SUZANNE L | 2010-03-31 | — | — | CN | disclosed |
| EP-1355887-B1 | PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF | UNIV GENEVE (CH) | 2007-08-15 | — | — | EP | disclosed |
| US-6911450-B1 | Pyrimidine acyclonucleoside derivatives, preparation method and use thereof | UNIVERSITE DE GENEVE (CH) | 2005-06-28 | — | — | US | disclosed |
| EP-1355887-A1 | PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF | UNIVERSITE DE GENEVE (CH) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002060880-A1 | PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF | UNIVERSITE DE GENEVE (CH) | 2002-08-08 | — | — | WO | disclosed |