⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5711122 | 0.70 | — | — | |
| SCHEMBL491681 | 0.59 | — | — | |
| SCHEMBL25922 | 0.59 | — | — | |
| SCHEMBL13006360 | 0.59 | — | — | |
| SCHEMBL491682 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL11441384 | 0.56 | — | — | |
| SCHEMBL9751190 | 0.56 | — | — | |
| SCHEMBL14838222 | 0.56 | — | — | |
| SCHEMBL1289422 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL11441382 | 0.56 | — | — |
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-20120064002-A1 | Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents | LEHMANN LUTZ (DE) | 2012-03-15 | — | — | US | disclosed |