⚠ 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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL9843229 | 0.88 | TSHR (0.31) | — | |
| Cadaverine Tartrate SCHEMBL9843374 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL8763655 | 0.66 | — | — | |
| Cadaverine Tartrate SCHEMBL9526178 | 0.62 | LMNA (0.46) | — | |
| Malonic Acid SCHEMBL11135797 | 0.62 | LMNA (0.49) | — | |
| Malonic Acid SCHEMBL11132631 | 0.61 | LMNA (0.40) | — | |
| SCHEMBL15060 | 0.55 | — | — | |
| SCHEMBL19742922 | 0.55 | TSHR (0.54) | — | |
| Malonic Acid SCHEMBL28880678 | 0.54 | LDHA (0.60) | — | |
| SCHEMBL9064672 | 0.54 | GAA (0.44) | — |
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-5004835-A | Substituted dicarboxylic acid-bis(3,5-dicarbamoyl-2,4,6-triiodoanilides), process for their production as well as X-ray contrast media containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-04-02 | — | — | US | disclosed |