⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30397862 | 0.76 | — | — | |
| SCHEMBL4833943 | 0.74 | POLB (0.35) | — | |
| SCHEMBL9257399 | 0.74 | — | — | |
| SCHEMBL9257394 | 0.73 | LMNA (0.34) | — | |
| SCHEMBL6563535 | 0.72 | POLB (0.33) | — | |
| SCHEMBL9563941 | 0.70 | POLB (0.35) | — | |
| SCHEMBL7056057 | 0.70 | CYP2C19 (0.36) | — | |
| SCHEMBL29665118 | 0.70 | CYP2C19 (0.36) | — | |
| SCHEMBL7108841 | 0.70 | — | — | |
| SCHEMBL4588540 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0484328-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS. | MALLINCKRODT INC (US) | 1992-05-13 | — | — | EP | disclosed |