⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22019701 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL19507317 | 0.68 | PLAU (0.31) | — | |
| SCHEMBL19506011 | 0.67 | CA2 (0.38) | — | |
| SCHEMBL24593157 | 0.67 | — | — | |
| SCHEMBL24593325 | 0.65 | L3MBTL1 (0.30) | — | |
| SCHEMBL20698715 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL20698716 | 0.63 | LMNA (0.31) | — | |
| SCHEMBL18421462 | 0.62 | PGR (0.46) | — | |
| SCHEMBL24784971 | 0.61 | — | — | |
| SCHEMBL24593159 | 0.61 | PGR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3445749-B1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2022-12-21 | — | — | EP | disclosed |
| EP-3445757-B1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RES INC (US) | 2020-11-25 | — | — | EP | disclosed |
| WO-2020102096-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |