⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7592825 | 0.91 | — | — | |
| SCHEMBL7589643 | 0.81 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL7596494 | 0.79 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL7592831 | 0.78 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL7589652 | 0.77 | TDP1 (0.32) | — | |
| SCHEMBL7595750 | 0.73 | TDP1 (0.32) | — | |
| SCHEMBL7595203 | 0.70 | — | — | |
| SCHEMBL7595758 | 0.69 | TDP1 (0.34) | — | |
| SCHEMBL7590263 | 0.68 | TDP1 (0.31) | — | |
| SCHEMBL7589122 | 0.66 | LMNA (0.36) | — |
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-6310243-B1 | BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY | NYCOMED IMAGING AS (NO) | 2001-10-30 | — | — | US | disclosed |