⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2495381 | 0.74 | — | — | |
| SCHEMBL13734493 | 0.73 | — | — | |
| Fluoride Ion SCHEMBL12474470 | 0.72 | KMT2A (0.38) | — | |
| Bromide SCHEMBL28737975 | 0.72 | KMT2A (0.38) | — | |
| Hydrochloric Acid SCHEMBL6267344 | 0.72 | KMT2A (0.38) | — | |
| Bromide SCHEMBL30517303 | 0.72 | KMT2A (0.38) | — | |
| Bromide SCHEMBL8748601 | 0.72 | KMT2A (0.38) | — | |
| Iodide SCHEMBL10809229 | 0.71 | CYP3A4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL4093688 | 0.71 | CYP3A4 (0.41) | — | |
| SCHEMBL6403148 | 0.69 | ALDH1A1 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230203044-A1 | PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME | JANSSEN PHARMACEUTICA NV (BE) | 2023-06-29 | — | — | US | disclosed |
| CN-110022875-A | Therapeutic inhibiting compound | 莱福斯希医药公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-107072985-A | Therapeutic inhibiting compound | 莱福斯希医药公司 | 2017-08-18 | — | — | CN | disclosed |