⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18389130 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL5894439 | 0.75 | — | — | |
| SCHEMBL5894445 | 0.75 | — | — | |
| SCHEMBL18514507 | 0.73 | — | — | |
| SCHEMBL14067048 | 0.73 | — | — | |
| SCHEMBL14161148 | 0.71 | — | — | |
| SCHEMBL12329789 | 0.71 | — | — | |
| SCHEMBL12450103 | 0.71 | — | — | |
| SCHEMBL18117989 | 0.71 | — | — | |
| SCHEMBL18235077 | 0.71 | — | — |
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-2123795-A1 | METHOD FOR PRODUCING IODIZING AGENT AND METHOD FOR PRODUCING AROMATIC IODINE COMPOUND | Japan Science and Technology Agency (JP) | 2009-11-25 | — | — | EP | disclosed |