⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10622448 | 0.80 | CA1 (0.32) | — | |
| SCHEMBL487176 | 0.78 | — | — | |
| SCHEMBL486816 | 0.76 | NOS3 (0.41) | — | |
| SCHEMBL486918 | 0.74 | NOS1 (0.41) | — | |
| SCHEMBL486904 | 0.73 | NOS1 (0.43) | — | |
| SCHEMBL9719564 | 0.73 | NOS1 (0.31) | — | |
| SCHEMBL10628880 | 0.71 | — | — | |
| SCHEMBL9445642 | 0.71 | NOS1 (0.46) | — | |
| SCHEMBL6342053 | 0.71 | ACHE (0.33) | — | |
| SCHEMBL8039824 | 0.71 | CYP1A2 (0.45) | — |
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 |