⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8656046 | 0.78 | — | — | |
| SCHEMBL11349467 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8709933 | 0.71 | — | — | |
| SCHEMBL7447601 | 0.69 | PARP1 (0.30) | — | |
| SCHEMBL65108 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL7566524 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7285171 | 0.64 | — | — | |
| SCHEMBL9241041 | 0.62 | — | — | |
| SCHEMBL12777891 | 0.62 | — | — | |
| SCHEMBL3272627 | 0.62 | — | — |
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-2019034693-A1 | SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS | INFLAZOME LIMITED (IE) | 2019-02-21 | — | — | WO | disclosed |