⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18797961 | 0.90 | — | — | |
| SCHEMBL23129882 | 0.89 | — | — | |
| SCHEMBL22667458 | 0.86 | MAPT (0.33) | — | |
| SCHEMBL22667381 | 0.86 | MTNR1A (0.41) | — | |
| SCHEMBL17336987 | 0.85 | ACLY (0.31) | — | |
| SCHEMBL17336985 | 0.85 | ACLY (0.31) | — | |
| SCHEMBL23130138 | 0.85 | ADRA2A (0.33) | — | |
| SCHEMBL23837376 | 0.84 | SMYD3 (0.34) | — | |
| SCHEMBL19228027 | 0.84 | AAK1 (0.34) | — | |
| SCHEMBL19663642 | 0.83 | MAPT (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9783555-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2017-10-10 | — | — | US | disclosed |
| US-20170226135-A1 | BETA-LACTAMASE INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-08-10 | — | — | US | disclosed |