⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11938182 | 0.65 | — | — | |
| SCHEMBL4586223 | 0.64 | — | — | |
| SCHEMBL5641970 | 0.64 | — | — | |
| SCHEMBL9877020 | 0.63 | ACHE (0.41) | — | |
| SCHEMBL26696629 | 0.62 | — | — | |
| SCHEMBL14776 | 0.61 | ACHE (0.33) | — | |
| SCHEMBL1006653 | 0.61 | ACHE (0.46) | — | |
| SCHEMBL8372676 | 0.61 | ACHE (0.33) | — | |
| SCHEMBL29563197 | 0.61 | ACHE (0.33) | — | |
| SCHEMBL9923673 | 0.61 | CLK1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020102574-A1 | THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |
| WO-2020102576-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |
| WO-2020102096-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |