⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7015241 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL1678262 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL1678498 | 0.72 | FAAH (0.41) | — | |
| SCHEMBL1679360 | 0.72 | — | — | |
| SCHEMBL8391324 | 0.68 | — | — | |
| SCHEMBL6890471 | 0.67 | LIPE (0.34) | — | |
| SCHEMBL7018913 | 0.67 | LMNA (0.35) | — | |
| SCHEMBL14194308 | 0.64 | — | — | |
| SCHEMBL8392206 | 0.64 | ACHE (0.30) | — | |
| SCHEMBL6890233 | 0.64 | GAA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110118238-A1 | 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2011-05-19 | — | — | US | disclosed |
| US-20090048269-A1 | CHEMICAL COMPOUNDS-821 | ASTRAZENECA AB (SE) | 2009-02-19 | — | — | US | disclosed |
| WO-2009022171-A1 | PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS | ASTRAZENECA AB (SE) | 2009-02-19 | — | — | WO | disclosed |