⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22249332 | 1.00 | — | — | |
| SCHEMBL1737561 | 0.84 | — | — | |
| SCHEMBL7793301 | 0.81 | KDM1A (0.31) | — | |
| SCHEMBL13210414 | 0.77 | FUCA1 (0.32) | — | |
| SCHEMBL12952243 | 0.76 | GSR (0.37) | — | |
| SCHEMBL5494425 | 0.74 | — | — | |
| SCHEMBL22084028 | 0.74 | — | — | |
| SCHEMBL12653860 | 0.74 | — | — | |
| SCHEMBL12653858 | 0.74 | — | — | |
| SCHEMBL13493464 | 0.73 | — | — |
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-2020150113-A1 | SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER | INNATE TUMOR IMMUNITY, INC. (US) | 2020-07-23 | — | — | WO | disclosed |