⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24932487 | 0.86 | — | — | |
| SCHEMBL16478900 | 0.83 | — | — | |
| SCHEMBL16473087 | 0.76 | — | — | |
| SCHEMBL7052586 | 0.72 | — | — | |
| SCHEMBL9719533 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL10346344 | 0.65 | MEN1 (0.39) | — | |
| SCHEMBL10933472 | 0.65 | MEN1 (0.39) | — | |
| SCHEMBL3209471 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL13044906 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL6407188 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-59046230-A | — | — | None | — | — | JP | disclosed |
| JP-S5946230-A | X RAY CONTRAST MEDIUM | GREEN CROSS CORP:THE | 1984-03-15 | — | — | JP | disclosed |