⚠ 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 | |
|---|---|---|---|---|
| 4-Imidazolecarboxylic Acid SCHEMBL70915 | 0.98 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL28123266 | 0.95 | KDM4E (0.37) | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL1759996 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL10564448 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL1436797 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL20482343 | 0.86 | ASPH (0.36) | — | |
| Biphenyl SCHEMBL27648104 | 0.86 | KMO (0.44) | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL13733596 | 0.82 | KDM4E (0.45) | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL20488406 | 0.82 | KDM4E (0.32) | — | |
| Dipyridyl SCHEMBL27971792 | 0.82 | LMNA (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104211720-B | Copper imidazole-4-carboxylic o-phenanthroline complex and application in preparation of medicine for preventing and curing cancer | 首都师范大学 | 2017-02-22 | — | — | CN | claimed |
| CN-103965221-B | Copper imidazoles-4-carboxylic acid neighbour's phenanthrene quinoline coordination compound and its preparation method and application | 首都师范大学 | 2016-09-28 | — | — | CN | claimed |
| CN-104211720-B | Copper imidazole-4-carboxylic o-phenanthroline complex and application in preparation of medicine for preventing and curing cancer | 首都师范大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-103965221-B | Copper imidazoles-4-carboxylic acid neighbour's phenanthrene quinoline coordination compound and its preparation method and application | 首都师范大学 | 2016-09-28 | — | — | CN | disclosed |
| CN-103965221-B | Copper imidazoles-4-carboxylic acid neighbour's phenanthrene quinoline coordination compound and its preparation method and application | 首都师范大学 | 2016-09-28 | — | — | CN | disclosed |