⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3951323 | 0.89 | SLC6A2 (0.32) | — | |
| SCHEMBL3950022 | 0.79 | SLC6A2 (0.31) | — | |
| SCHEMBL9385736 | 0.74 | CYP1A2 (0.34) | — | |
| SCHEMBL3948876 | 0.74 | ITGB3 (0.37) | — | |
| SCHEMBL6262806 | 0.74 | SLC6A2 (0.33) | — | |
| SCHEMBL28474774 | 0.71 | — | — | |
| SCHEMBL17476568 | 0.70 | — | — | |
| SCHEMBL7128345 | 0.68 | — | — | |
| SCHEMBL3955659 | 0.67 | ADH1A (0.36) | — | |
| SCHEMBL3956365 | 0.67 | GABRP (0.37) | — |
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-2009024825-A1 | 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | WO | disclosed |