⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18574321 | 0.77 | EPHX2 (0.52) | — | |
| SCHEMBL15137942 | 0.77 | ATM (0.30) | — | |
| SCHEMBL27780309 | 0.75 | ATM (0.34) | — | |
| SCHEMBL14319765 | 0.75 | — | — | |
| SCHEMBL16254588 | 0.74 | — | — | |
| SCHEMBL12233201 | 0.74 | — | — | |
| SCHEMBL14773735 | 0.74 | — | — | |
| SCHEMBL10279832 | 0.70 | — | — | |
| SCHEMBL22906098 | 0.70 | ATM (0.38) | — | |
| SCHEMBL21427820 | 0.70 | ATM (0.38) | — |
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-2019014402-A1 | NLRP3 MODULATORS | INNATE TUMOR IMMUNITY, INC. (US) | 2019-01-17 | — | — | WO | disclosed |