⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24978547 | 0.82 | CA1 (0.35) | — | |
| SCHEMBL22021557 | 0.76 | — | — | |
| SCHEMBL15746137 | 0.70 | GAA (0.42) | — | |
| SCHEMBL21963205 | 0.66 | CA1 (0.35) | — | |
| SCHEMBL20073784 | 0.66 | HTT (0.43) | — | |
| SCHEMBL13184397 | 0.65 | MPO (0.43) | — | |
| SCHEMBL22412844 | 0.64 | MAPT (0.44) | — | |
| SCHEMBL20754689 | 0.64 | CA2 (0.32) | — | |
| SCHEMBL22021565 | 0.63 | ADORA2A (0.30) | — | |
| SCHEMBL20757369 | 0.62 | TMEM97 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020102096-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |