⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2697903 | 0.70 | — | — | |
| SCHEMBL1745971 | 0.70 | — | — | |
| SCHEMBL16418366 | 0.68 | — | — | |
| SCHEMBL10452168 | 0.68 | — | — | |
| SCHEMBL17372870 | 0.65 | — | — | |
| SCHEMBL5095651 | 0.63 | — | — | |
| SCHEMBL2361865 | 0.59 | — | — | |
| SCHEMBL11203576 | 0.58 | — | — | |
| SCHEMBL28275764 | 0.56 | — | — | |
| SCHEMBL10706676 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020028593-A1 | A METHOD OF TREATING ER MUTANT EXPRESSING BREAST CANCERS WITH SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) | Oncternal Therapeutics, Inc. (US) | 2020-02-06 | — | — | WO | disclosed |
| EP-2509602-A1 | PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS | Cylene Pharmaceuticals, Inc. (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011068667-A1 | PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS | CYLENE PHARMACEUTICALS, INC. (US) | 2011-06-09 | — | — | WO | disclosed |