⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4722936 | 0.76 | — | — | |
| Cytosine SCHEMBL14125692 | 0.70 | TSHR (0.42) | — | |
| Cytosine SCHEMBL27595867 | 0.69 | TSHR (0.40) | — | |
| Cytosine SCHEMBL4059 | 0.69 | — | — | |
| Cytosine SCHEMBL1330400 | 0.69 | — | — | |
| Cytosine SCHEMBL4657334 | 0.69 | DYRK1A (0.44) | — | |
| Cytosine SCHEMBL1330710 | 0.69 | — | — | |
| Cytosine SCHEMBL8910522 | 0.68 | TSHR (0.43) | — | |
| Cytosine SCHEMBL28110461 | 0.68 | XIAP (0.43) | — | |
| Cytosine SCHEMBL3703274 | 0.68 | DYRK1A (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0877022-B1 | Sulfonylpyrimidine derivatives with anticancer activity | RUDJER BOSKOVIC INST (HR) | 2003-04-16 | — | — | EP | disclosed |