⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24767190 | 0.85 | NLRP3 (0.31) | — | |
| SCHEMBL24767197 | 0.84 | — | — | |
| SCHEMBL23658637 | 0.73 | — | — | |
| SCHEMBL23658636 | 0.73 | AKR1B1 (0.32) | — | |
| SCHEMBL22290260 | 0.62 | LMNA (0.37) | — | |
| SCHEMBL23729378 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL18106619 | 0.61 | PARP1 (0.37) | — | |
| SCHEMBL23647846 | 0.60 | — | — | |
| SCHEMBL23658835 | 0.60 | KMT2A (0.35) | — | |
| SCHEMBL30005999 | 0.60 | MOGAT2 (0.34) | — |
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 |