⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL433369 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL5435000 | 0.69 | — | — | |
| Urea SCHEMBL21496406 | 0.68 | — | — | |
| SCHEMBL9090061 | 0.67 | — | — | |
| SCHEMBL8769746 | 0.67 | — | — | |
| SCHEMBL8768768 | 0.65 | — | — | |
| SCHEMBL8559485 | 0.62 | — | — | |
| SCHEMBL11884872 | 0.62 | — | — | |
| SCHEMBL11809108 | 0.61 | — | — | |
| Methyl Carbamate SCHEMBL4140 | 0.60 | — | — |
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-2607498-A1 | Genetic alterations in isocitrate dehydrogenase and other genes in malignant glioma | The Johns Hopkins University (US) | 2013-06-26 | — | — | EP | disclosed |