⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8604583 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL3280773 | 0.73 | — | — | |
| SCHEMBL18435034 | 0.72 | — | — | |
| Water SCHEMBL20657274 | 0.71 | — | — | |
| SCHEMBL707184 | 0.71 | — | — | |
| SCHEMBL19914462 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL16099614 | 0.70 | — | — | |
| SCHEMBL24593051 | 0.69 | — | — | |
| SCHEMBL381182 | 0.67 | — | — | |
| SCHEMBL18671042 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993016983-A1 | COMPOUNDS USED IN CONTRAST PRODUCTS FOR RADIOGRAPHY | GUERBET S.A. (FR) | 1993-09-02 | — | — | WO | disclosed |
| EP-0558395-A1 | Compounds useful in contrast agents for radiography | GUERBET S.A. (FR) | 1993-09-01 | — | — | EP | disclosed |