⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22020711 | 0.80 | — | — | |
| SCHEMBL29055334 | 0.74 | LOXL2 (0.30) | — | |
| SCHEMBL22012114 | 0.74 | LOXL2 (0.30) | — | |
| SCHEMBL25033904 | 0.72 | CA2 (0.35) | — | |
| SCHEMBL29055377 | 0.72 | CA2 (0.35) | — | |
| SCHEMBL29055353 | 0.72 | — | — | |
| SCHEMBL30060811 | 0.72 | — | — | |
| SCHEMBL2502991 | 0.72 | — | — | |
| SCHEMBL22020713 | 0.71 | TDP1 (0.32) | — | |
| SCHEMBL25034209 | 0.68 | LOXL2 (0.32) | — |
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 |