⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7994815 | 0.92 | TDP1 (0.31) | — | |
| SCHEMBL7994645 | 0.80 | HSP90AA1 (0.34) | — | |
| SCHEMBL7996545 | 0.71 | CYP2D6 (0.36) | — | |
| SCHEMBL7984159 | 0.70 | EGFR (0.31) | — | |
| SCHEMBL7998616 | 0.63 | SMN1; SMN2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL9234867 | 0.61 | MEN1 (0.55) | — | |
| SCHEMBL9229348 | 0.60 | LMNA (0.38) | — | |
| SCHEMBL11734584 | 0.59 | CYP1A2 (0.43) | — | |
| SCHEMBL9058875 | 0.59 | KDM4E (0.54) | — | |
| SCHEMBL9058693 | 0.58 | MAPK1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001034578-A1 | COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY | ASTRAZENECA AB (SE) | 2001-05-17 | — | — | WO | claimed |