⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3466146 | 0.61 | — | — | |
| SCHEMBL4670254 | 0.61 | NPSR1 (0.37) | — | |
| SCHEMBL4669240 | 0.59 | — | — | |
| SCHEMBL14685353 | 0.58 | — | — | |
| SCHEMBL1668386 | 0.53 | — | — | |
| SCHEMBL11257705 | 0.50 | — | — | |
| SCHEMBL31405560 | 0.50 | KMT2A (0.41) | — | |
| SCHEMBL4641826 | 0.48 | — | — | |
| SCHEMBL4650150 | 0.48 | — | — | |
| SCHEMBL5884621 | 0.48 | — | — |
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-2164495-A1 | USE OF DERIVATIVES OF 3-OXO-2,3-DIHYDRO-5H-THIAZOLOFÝ3,2-A¨PYRIMIDINE OR OF 3-OXO-2,3-DIHYDRO-5H-SELENAZOLOÝ3,2-A¨PYRIMIDINE OR OF 3-OXO-1,2,3-TRIHYDRO-5H-IMIDAZOLOÝ1,2-A¨PYRIMIDINE FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS INTENDED FOR THE TREATMENT OF CANCER | Université Paris Descartes (FR) | 2010-03-24 | — | — | EP | disclosed |
| WO-2008149311-A1 | USE OF DERIVATIVES OF 3-OXO-2,3-DIHYDRO-5H-THIAZOLOF[3,2-A]PYRIMIDINE OR OF 3-OXO-2,3-DIHYDRO-5H-SELENAZOLO[3,2-A]PYRIMIDINE OR OF 3-OXO-1,2,3-TRIHYDRO-5H-IMIDAZOLO[1,2-A]PYRIMIDINE FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS INTENDED FOR THE TREATMENT OF CANCER | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2008-12-11 | — | — | WO | disclosed |