⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25779596 | 0.87 | — | — | |
| SCHEMBL24251717 | 0.86 | POLB (0.33) | — | |
| SCHEMBL11195794 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL620188 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL28659602 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL22661221 | 0.79 | KDM4E (0.38) | — | |
| SCHEMBL14156178 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL28771911 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL3660895 | 0.76 | — | — | |
| SCHEMBL12957727 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210284597-A1 | Process for the Monotopic Preparation of Intermediate Organo-Iodinated Compounds for the Synthesis of Ioversol | GUERBET (FR) | 2021-09-16 | — | — | US | disclosed |
| US-10836711-B2 | Method for the one-pot production of organo-iodinated compounds | GUERBET (FR) | 2020-11-17 | — | — | US | disclosed |