⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7134518 | 0.92 | — | — | |
| SCHEMBL3339031 | 0.80 | — | — | |
| SCHEMBL28550488 | 0.67 | LMNA (0.33) | — | |
| Hydrochloric Acid SCHEMBL28593986 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28593985 | 0.67 | — | — | |
| SCHEMBL492385 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL14335463 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL28593017 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL2058793 | 0.60 | — | — | |
| SCHEMBL10238113 | 0.59 | — | — |
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-112513048-A | Sulfonylimide compounds as inhibitors of interleukin-1 activity | 豪夫迈·罗氏有限公司 | 2021-03-16 | — | — | CN | disclosed |