⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7824359 | 0.76 | LMNA (0.50) | — | |
| SCHEMBL7824361 | 0.76 | LMNA (0.50) | — | |
| SCHEMBL6421588 | 0.74 | — | — | |
| SCHEMBL3335899 | 0.74 | — | — | |
| SCHEMBL3772222 | 0.72 | CTBP2 (0.30) | — | |
| SCHEMBL3772226 | 0.72 | CTBP2 (0.30) | — | |
| SCHEMBL4064774 | 0.70 | CES1 (0.46) | — | |
| SCHEMBL10979904 | 0.70 | CES1 (0.46) | — | |
| SCHEMBL10976708 | 0.69 | CA1 (0.44) | — | |
| SCHEMBL10976692 | 0.69 | CA1 (0.44) | — |
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-1997019934-A1 | QUINOXALINE COMPOUNDS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND A PROCESS FOR THE PREPARATION THEREOF | Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) | 1997-06-05 | — | — | WO | disclosed |