⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18721202 | 0.85 | CYP1A2 (0.31) | — | |
| SCHEMBL28944959 | 0.80 | — | — | |
| SCHEMBL1924345 | 0.78 | — | — | |
| SCHEMBL21280451 | 0.78 | — | — | |
| SCHEMBL29201127 | 0.78 | — | — | |
| SCHEMBL236683 | 0.78 | — | — | |
| SCHEMBL9305144 | 0.77 | — | — | |
| SCHEMBL6419071 | 0.77 | — | — | |
| SCHEMBL19962782 | 0.77 | — | — | |
| SCHEMBL5538728 | 0.75 | CYP1A2 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107915832-A | Material of polycarbonate/polyester containing iodine of X rays development and preparation method and application | 复旦大学 | 2018-04-17 | — | — | CN | disclosed |