⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL269240 | 0.79 | — | — | |
| SCHEMBL3038172 | 0.75 | — | — | |
| SCHEMBL14759787 | 0.74 | — | — | |
| SCHEMBL271435 | 0.73 | — | — | |
| SCHEMBL271072 | 0.70 | — | — | |
| SCHEMBL3695740 | 0.69 | OPRM1 (0.41) | — | |
| SCHEMBL4633800 | 0.69 | — | — | |
| SCHEMBL3781240 | 0.69 | LMNA (0.52) | — | |
| SCHEMBL2112419 | 0.68 | LMNA (0.40) | — | |
| SCHEMBL5473399 | 0.67 | — | — |
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-2009007390-A2 | 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |