⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8852182 | 0.84 | — | — | |
| SCHEMBL10589914 | 0.78 | — | — | |
| SCHEMBL25603 | 0.77 | — | — | |
| SCHEMBL4919499 | 0.77 | GABRP (0.62) | — | |
| SCHEMBL14360718 | 0.77 | GABRP (0.62) | — | |
| SCHEMBL285223 | 0.77 | GABRP (0.62) | — | |
| SCHEMBL22206271 | 0.76 | GABRP (0.54) | — | |
| SCHEMBL22206272 | 0.76 | GABRP (0.54) | — | |
| Hydrochloric Acid SCHEMBL16667716 | 0.74 | GABRP (0.59) | — | |
| SCHEMBL264824 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |