⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8378118 | 0.84 | HCRTR1 (0.33) | — | |
| SCHEMBL8593161 | 0.83 | — | — | |
| SCHEMBL7591440 | 0.83 | LMNA (0.30) | — | |
| SCHEMBL8592063 | 0.82 | — | — | |
| SCHEMBL7594696 | 0.81 | HCRTR1 (0.31) | — | |
| SCHEMBL7590214 | 0.81 | LMNA (0.31) | — | |
| SCHEMBL8378111 | 0.81 | HCRTR1 (0.32) | — | |
| SCHEMBL7589593 | 0.76 | LMNA (0.33) | — | |
| SCHEMBL7589626 | 0.76 | — | — | |
| SCHEMBL7590263 | 0.76 | TDP1 (0.31) | — |
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-6448442-B1 | X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS | AMERSHAM HEALTH AS (NO) | 2002-09-10 | — | — | US | disclosed |
| US-5993780-A | A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE | NYCOMED IMAGING AS (NO) | 1999-11-30 | — | — | US | disclosed |