⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2616623 | 1.00 | — | — | |
| SCHEMBL3888280 | 1.00 | — | — | |
| Acetonitrile SCHEMBL27642684 | 0.89 | — | — | |
| SCHEMBL15312468 | 0.83 | — | — | |
| SCHEMBL15312466 | 0.83 | — | — | |
| SCHEMBL7765793 | 0.79 | HCAR2 (0.39) | — | |
| SCHEMBL9548488 | 0.79 | GRIK1 (0.37) | — | |
| SCHEMBL8842466 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL9548489 | 0.79 | GRIK1 (0.37) | — | |
| SCHEMBL7765784 | 0.79 | HCAR2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0869943-A1 | MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997021675-A1 | MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1997-06-19 | — | — | WO | disclosed |