⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL508240 | 1.00 | — | — | |
| SCHEMBL17652528 | 1.00 | — | — | |
| SCHEMBL9063466 | 0.89 | — | — | |
| SCHEMBL23540 | 0.84 | — | — | |
| SCHEMBL1170310 | 0.84 | — | — | |
| SCHEMBL9775290 | 0.84 | — | — | |
| SCHEMBL24654708 | 0.83 | — | — | |
| SCHEMBL17404490 | 0.83 | HSD17B10 (0.37) | — | |
| SCHEMBL2544202 | 0.83 | — | — | |
| SCHEMBL8334582 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0955044-B1 | Method of inhibiting bacterial or fungal growth using a complexing agent | CHELATOR LLC (US) | 2005-11-16 | — | — | EP | disclosed |
| EP-1382332-A1 | Method for inhibiting bacterial or fungal growth using a polyamine derivative as complexing agent | Chelator LLC (US) | 2004-01-21 | — | — | EP | disclosed |
| WO-1997001360-A9 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | — | 1997-07-17 | — | — | WO | disclosed |