⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24767199 | 0.84 | — | — | |
| SCHEMBL24767190 | 0.82 | NLRP3 (0.31) | — | |
| SCHEMBL30005999 | 0.75 | MOGAT2 (0.34) | — | |
| SCHEMBL30006242 | 0.75 | AR (0.31) | — | |
| SCHEMBL23658907 | 0.75 | AR (0.31) | — | |
| SCHEMBL23647912 | 0.75 | MOGAT2 (0.34) | — | |
| SCHEMBL23647745 | 0.72 | — | — | |
| SCHEMBL23658906 | 0.69 | MTNR1A (0.31) | — | |
| SCHEMBL30005861 | 0.69 | MTNR1A (0.31) | — | |
| SCHEMBL23648067 | 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 |
|---|---|---|---|---|---|---|---|
| US-20220396578-A1 | QUINOXALINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2022-12-15 | — | — | US | disclosed |