⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21962202 | 0.74 | PYCR1 (0.42) | — | |
| SCHEMBL25986297 | 0.72 | NOTUM (0.33) | — | |
| SCHEMBL22013597 | 0.70 | ALDH1A1 (0.47) | — | |
| SCHEMBL25034010 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL25607132 | 0.69 | PGK1 (0.30) | — | |
| SCHEMBL22013599 | 0.68 | KAT2B (0.36) | — | |
| SCHEMBL13991742 | 0.68 | TYR (0.46) | — | |
| SCHEMBL27969315 | 0.64 | — | — | |
| SCHEMBL13305643 | 0.64 | ADRB2 (0.50) | — | |
| SCHEMBL27680626 | 0.64 | PTGS1 (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-2020102576-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |