⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8852205 | 0.90 | CXCR4 (0.31) | — | |
| SCHEMBL8851455 | 0.89 | DRD3 (0.36) | — | |
| SCHEMBL18233629 | 0.88 | — | — | |
| SCHEMBL8851758 | 0.81 | PRMT3 (0.32) | — | |
| SCHEMBL8851159 | 0.80 | SLC6A2 (0.38) | — | |
| SCHEMBL8851120 | 0.80 | DRD3 (0.35) | — | |
| SCHEMBL8851136 | 0.79 | PIK3CD (0.31) | — | |
| SCHEMBL8852149 | 0.79 | SAT1 (0.32) | — | |
| SCHEMBL18236809 | 0.77 | CXCR4 (0.31) | — | |
| SCHEMBL293248 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |