⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2221796 | 0.85 | — | — | |
| SCHEMBL11704664 | 0.84 | — | — | |
| SCHEMBL3232877 | 0.80 | — | — | |
| SCHEMBL35325 | 0.74 | — | — | |
| SCHEMBL11314453 | 0.72 | — | — | |
| SCHEMBL28208107 | 0.68 | TSHR (0.62) | — | |
| SCHEMBL22628 | 0.68 | — | — | |
| Butane SCHEMBL9542950 | 0.68 | ALDH1A1 (0.67) | — | |
| Water SCHEMBL28254801 | 0.68 | TSHR (0.62) | — | |
| Water SCHEMBL11344535 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1503994-A1 | SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES | Bayer CropScience AG (DE) | 2005-02-09 | — | — | EP | claimed |
| WO-2003093244-A1 | SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES | BAYER CROPSCIENCE AG (DE) | 2003-11-13 | — | — | WO | claimed |
| US-5618814-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds | DR. KARL THOMAE GMBH (DE) | 1997-04-08 | — | — | US | disclosed |
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |