⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23129665 | 0.89 | — | — | |
| SCHEMBL19663689 | 0.88 | — | — | |
| SCHEMBL23129981 | 0.86 | — | — | |
| SCHEMBL17337140 | 0.84 | PRKCB (0.34) | — | |
| SCHEMBL17337148 | 0.84 | PRKCB (0.34) | — | |
| SCHEMBL18797983 | 0.83 | — | — | |
| SCHEMBL22667287 | 0.80 | ROCK2 (0.34) | — | |
| SCHEMBL23130214 | 0.79 | MTNR1A (0.33) | — | |
| SCHEMBL22667282 | 0.79 | — | — | |
| SCHEMBL21539650 | 0.78 | MTNR1A (0.35) | — |
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-9926336-B2 | Beta-lactamase inhibitors | VENATORX PHARMACEUTICALS (US) | 2018-03-27 | — | — | US | disclosed |
| US-20170342092-A1 | BETA-LACTAMASE INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-11-30 | — | — | US | disclosed |