⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5933082 | 0.82 | LMNA (0.45) | — | |
| SCHEMBL30350415 | 0.82 | LMNA (0.45) | — | |
| SCHEMBL19231596 | 0.78 | — | — | |
| SCHEMBL8851438 | 0.78 | LMNA (0.42) | — | |
| SCHEMBL8852292 | 0.76 | LMNA (0.45) | — | |
| SCHEMBL15137283 | 0.75 | LMNA (0.39) | — | |
| SCHEMBL136589 | 0.74 | — | — | |
| SCHEMBL8851727 | 0.73 | LMNA (0.57) | — | |
| SCHEMBL17404772 | 0.73 | LMNA (0.38) | — | |
| SCHEMBL10674424 | 0.73 | LMNA (0.38) | — |
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 |