⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4649916 | 0.79 | — | — | |
| SCHEMBL6440640 | 0.75 | — | — | |
| SCHEMBL10039012 | 0.72 | — | — | |
| SCHEMBL24661399 | 0.63 | — | — | |
| SCHEMBL8717254 | 0.63 | — | — | |
| SCHEMBL28344753 | 0.60 | — | — | |
| SCHEMBL24242228 | 0.58 | — | — | |
| SCHEMBL10068863 | 0.55 | — | — | |
| SCHEMBL1033733 | 0.55 | — | — | |
| SCHEMBL2970352 | 0.55 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050112066-A1 | Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity | CONCAT LP, A CALIFORNIA LIMITED PARTNERSHIP (US) | 2005-05-26 | — | — | US | disclosed |
| US-6583182-B1 | Atomic numbers 21-30 are components of enzymes required for nucleic acid replication; substituted polyaza compounds inhibit cell replication by decreaseing bioavailability of iron or copper | CHELATOR LLC | 2003-06-24 | — | — | US | disclosed |
| US-6469162-B1 | SUCH COMPOUNDS INHIBIT MAMMALIAN, BACTERIAL, AND FUNGAL CELL REPLICATION AND ARE USEFUL IN THE TREATMENT OF NEOPLASIA, INFECTION, INFLAMMATION, IMMUNE REPONSE, AND IN TERMINATION OF PREGNANCY | CONCAT, LTD. | 2002-10-22 | — | — | US | disclosed |