⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22014629 | 0.92 | NLRP3 (0.35) | — | |
| SCHEMBL20699057 | 0.92 | NLRP3 (0.35) | — | |
| SCHEMBL22014449 | 0.90 | NLRP3 (0.31) | — | |
| SCHEMBL22014450 | 0.84 | NLRP3 (0.36) | — | |
| SCHEMBL20698763 | 0.84 | NLRP3 (0.36) | — | |
| SCHEMBL25066909 | 0.83 | — | — | |
| SCHEMBL20698759 | 0.83 | — | — | |
| SCHEMBL20699076 | 0.83 | — | — | |
| SCHEMBL23692136 | 0.83 | — | — | |
| SCHEMBL23692149 | 0.81 | NLRP3 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020102574-A1 | THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |