⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19162410 | 0.72 | — | — | |
| SCHEMBL11189316 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL11707493 | 0.69 | CES1 (0.36) | — | |
| SCHEMBL1005520 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL8216629 | 0.67 | — | — | |
| SCHEMBL28098406 | 0.67 | — | — | |
| SCHEMBL24514005 | 0.67 | — | — | |
| SCHEMBL22306025 | 0.67 | — | — | |
| SCHEMBL4882969 | 0.66 | — | — | |
| SCHEMBL23502888 | 0.65 | CES2 (0.41) | — |
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-B1 | METHOD FOR PRODUCING IODIZING AGENT AND METHOD FOR PRODUCING AROMATIC IODINE COMPOUND | JAPAN SCIENCE & TECH AGENCY (JP) | 2015-05-06 | — | — | EP | disclosed |