⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13866823 | 0.70 | CYP1A2 (0.37) | — | |
| SCHEMBL13866837 | 0.69 | — | — | |
| SCHEMBL3252967 | 0.65 | CHEK1 (0.31) | — | |
| SCHEMBL17703483 | 0.58 | NOS1 (0.40) | — | |
| SCHEMBL13004010 | 0.58 | PDK2 (0.31) | — | |
| SCHEMBL30930930 | 0.58 | AURKA (0.30) | — | |
| SCHEMBL30991072 | 0.57 | ALDH1A1 (0.30) | — | |
| SCHEMBL13038422 | 0.57 | GAA (0.36) | — | |
| SCHEMBL25307259 | 0.55 | CHEK1 (0.37) | — | |
| SCHEMBL2317356 | 0.55 | MAPK1 (0.31) | — |
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-7524847-B2 | Fused 1,3-dihydro-imidazole ring compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-04-28 | — | — | US | disclosed |