⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2449252 | 0.75 | LMNA (0.35) | — | |
| SCHEMBL10363207 | 0.73 | — | — | |
| SCHEMBL1469539 | 0.73 | — | — | |
| SCHEMBL10142786 | 0.73 | — | — | |
| SCHEMBL2222863 | 0.73 | — | — | |
| SCHEMBL25057 | 0.73 | — | — | |
| SCHEMBL3829209 | 0.72 | — | — | |
| SCHEMBL14744066 | 0.72 | — | — | |
| SCHEMBL9353672 | 0.71 | — | — | |
| SCHEMBL19939683 | 0.71 | — | — |
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-2022079246-A1 | NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME | ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) | 2022-04-21 | — | — | WO | disclosed |