⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20757976 | 0.72 | KDM5A (0.32) | — | |
| SCHEMBL23329024 | 0.68 | HTR6 (0.32) | — | |
| SCHEMBL23310480 | 0.66 | MEN1 (0.36) | — | |
| SCHEMBL20757730 | 0.65 | APLNR (0.46) | — | |
| SCHEMBL22172652 | 0.58 | CHRM3 (0.30) | — | |
| SCHEMBL25619093 | 0.58 | HTR1A (0.30) | — | |
| SCHEMBL11561748 | 0.54 | DPP4 (0.40) | — | |
| SCHEMBL28175220 | 0.54 | NPC1 (0.53) | — | |
| SCHEMBL22172978 | 0.53 | — | — | |
| SCHEMBL15194196 | 0.53 | NR5A2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210130359-A1 | SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS | INFLAZOME LIMITED (IE) | 2021-05-06 | — | — | US | disclosed |