⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29314480 | 0.91 | DHFR (0.35) | — | |
| SCHEMBL29314454 | 0.83 | NAMPT (0.30) | — | |
| SCHEMBL29314452 | 0.80 | HIF1A (0.33) | — | |
| SCHEMBL29314465 | 0.79 | NAMPT (0.32) | — | |
| SCHEMBL29314485 | 0.77 | NAMPT (0.36) | — | |
| SCHEMBL29325305 | 0.76 | NAMPT (0.42) | — | |
| SCHEMBL29325255 | 0.76 | KDM4E (0.42) | — | |
| SCHEMBL29315385 | 0.76 | DHFR (0.36) | — | |
| SCHEMBL29315388 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL29315420 | 0.74 | CHEK1 (0.31) | — |
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-12037344-B2 | NLRP3 modulators | INNATE TUMOR IMMUNITY, INC (US) | 2024-07-16 | — | — | US | disclosed |