⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25014712 | 0.80 | GAA (0.32) | — | |
| SCHEMBL21962953 | 0.68 | LMNA (0.41) | — | |
| SCHEMBL25014616 | 0.68 | KCNN4 (0.37) | — | |
| SCHEMBL21962948 | 0.66 | LMNA (0.39) | — | |
| SCHEMBL21962888 | 0.64 | GAA (0.38) | — | |
| SCHEMBL28613140 | 0.64 | PTGES2 (0.32) | — | |
| SCHEMBL22266027 | 0.64 | KEAP1 (0.41) | — | |
| SCHEMBL22266023 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL22687481 | 0.62 | SMYD2 (0.38) | — | |
| SCHEMBL28628662 | 0.62 | RAB9A (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020102100-A9 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2022-01-06 | — | — | WO | disclosed |
| WO-2020102100-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |