⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27485447 | 0.86 | MEN1 (0.48) | — | |
| SCHEMBL8565598 | 0.86 | — | — | |
| SCHEMBL8565720 | 0.86 | — | — | |
| SCHEMBL8627004 | 0.85 | GRIN1 (0.49) | — | |
| Bromide SCHEMBL8090535 | 0.84 | — | — | |
| SCHEMBL8570362 | 0.84 | — | — | |
| SCHEMBL8630940 | 0.84 | — | — | |
| Bromide SCHEMBL8571702 | 0.84 | — | — | |
| SCHEMBL8090497 | 0.84 | — | — | |
| Bromide SCHEMBL8086899 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1193968-A | 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives | NOVARTIS AG (CH) | 1998-09-23 | — | — | CN | claimed |
| CN-1197452-A | Azetidinone derivatives for treatment of atherosclerosis | SMITHKLINE BEECHAM PLC (GB) | 1998-10-28 | — | — | CN | disclosed |