⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15942710 | 0.82 | — | — | |
| SCHEMBL238761 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29951194 | 0.74 | BLM (0.50) | — | |
| SCHEMBL14944031 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL171791 | 0.67 | — | — | |
| SCHEMBL4561308 | 0.66 | TSHR (0.36) | — | |
| Hydrochloric Acid SCHEMBL1076986 | 0.65 | — | — | |
| SCHEMBL21564367 | 0.64 | TSHR (0.71) | — | |
| SCHEMBL19557964 | 0.62 | — | — | |
| SCHEMBL84437 | 0.62 | — | — |
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-20090233926-A1 | 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | ASTRAZENECA (SE) | 2009-09-17 | — | — | US | disclosed |