⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2445482 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL6950834 | 0.73 | ALDH1A1 (0.56) | — | |
| SCHEMBL8295 | 0.73 | — | — | |
| SCHEMBL4743052 | 0.73 | — | — | |
| SCHEMBL11147178 | 0.72 | ALDH1A1 (0.56) | — | |
| SCHEMBL292883 | 0.72 | — | — | |
| SCHEMBL27432 | 0.72 | — | — | |
| SCHEMBL305583 | 0.72 | ALDH1A1 (0.56) | — | |
| SCHEMBL305582 | 0.72 | ALDH1A1 (0.56) | — | |
| SCHEMBL7551301 | 0.72 | ALDH1A1 (0.56) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268446-B1 | METHOD FOR PRODUCING ASYMMETRICAL 4,6-BIS(ARYLOXY)PYRIMIDINE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-10-06 | — | — | EP | disclosed |
| EP-2107049-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE -FLUOROCARBOXYLATE ESTER | Central Glass Company, Limited (JP) | 2009-10-07 | — | — | EP | disclosed |
| US-20090192121-A1 | NOVEL BISAMIDATE PHOSPHONATE PRODRUGS | JIANG TAO | 2009-07-30 | — | — | US | disclosed |
| US-6965033-B2 | Bisamidate phosphonate prodrugs | METABASIS THERAPEUTICS, INC. (US) | 2005-11-15 | — | — | US | disclosed |
| US-20050004077-A1 | Novel bisamidate phosphonate prodrugs | JIANG TAO (US) | 2005-01-06 | — | — | US | disclosed |
| US-20020173490-A1 | Novel bisamidate phosphonate prodrugs | METABASIS THERAPEUTICS, INC. | 2002-11-21 | — | — | US | disclosed |