⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3105280 | 0.81 | PDK2 (0.44) | — | |
| SCHEMBL16404872 | 0.72 | TOP2A (0.31) | — | |
| SCHEMBL2824407 | 0.70 | TOP2A (0.40) | — | |
| SCHEMBL13173051 | 0.70 | TOP2A (0.40) | — | |
| SCHEMBL2823071 | 0.70 | HSD17B10 (0.46) | — | |
| Hydrochloric Acid SCHEMBL2824409 | 0.69 | HSD17B10 (0.44) | — | |
| SCHEMBL4152719 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL3095719 | 0.65 | — | — | |
| SCHEMBL8025094 | 0.65 | — | — | |
| SCHEMBL3027998 | 0.64 | GAA (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2141151-B1 | METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND | SHIKOKU CHEM (JP) | 2013-03-20 | — | — | EP | disclosed |
| EP-2141151-A1 | METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND | SHIKOKU CHEMICALS CORPORATION (JP) | 2010-01-06 | — | — | EP | disclosed |