⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL558620 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3760711 | 0.97 | PI4KA (0.35) | — | |
| Sulfuric Acid SCHEMBL31206216 | 0.89 | CYP1A2 (0.33) | — | |
| Sulfuric Acid SCHEMBL3253536 | 0.89 | CYP1A2 (0.33) | — | |
| SCHEMBL1939076 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1924532 | 0.82 | HSP90AA1 (0.32) | — | |
| SCHEMBL9148518 | 0.79 | MAPT (0.31) | — | |
| SCHEMBL1718947 | 0.78 | — | — | |
| SCHEMBL7118036 | 0.78 | — | — | |
| SCHEMBL9443855 | 0.78 | CDK2 (0.33) | — |
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 6 patents. 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 |
| CN-118908957-A | Small molecule inhibitors of NF- κB induced kinase | 詹森药业有限公司 | 2024-11-08 | — | — | CN | disclosed |
| CN-114222737-B | Small molecule inhibitors of NF- κB induced kinase | 詹森药业有限公司 | 2024-07-26 | — | — | CN | disclosed |
| CN-112004845-B | Resin composition, laminate, semiconductor wafer with resin composition layer, substrate, and semiconductor device | 三菱瓦斯化学株式会社 | 2022-05-31 | — | — | CN | disclosed |
| EP-3976597-A1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | Janssen Pharmaceutica NV (BE) | 2022-04-06 | — | — | EP | disclosed |
| CN-114222737-A | Small molecule inhibitor of NF-kB induced kinase | 詹森药业有限公司 | 2022-03-22 | — | — | CN | disclosed |