⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30667885 | 1.00 | — | — | |
| SCHEMBL30668047 | 1.00 | — | — | |
| SCHEMBL34468853 | 0.80 | DGAT1 (0.31) | — | |
| SCHEMBL31501754 | 0.77 | ATR (0.34) | — | |
| SCHEMBL34468792 | 0.74 | DGAT1 (0.31) | — | |
| SCHEMBL26644083 | 0.74 | ATR (0.32) | — | |
| SCHEMBL30667753 | 0.74 | ATR (0.32) | — | |
| SCHEMBL26686163 | 0.74 | ATR (0.32) | — | |
| SCHEMBL34468930 | 0.73 | DGAT1 (0.31) | — | |
| SCHEMBL27041975 | 0.73 | KLKB1 (0.30) | — |
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-119546602-A | Pyrrolidone derivatives as inhibitors of nfkb-induced kinase | 詹森药业有限公司 | 2025-02-28 | — | — | CN | disclosed |