⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22667458 | 0.94 | MAPT (0.33) | — | |
| SCHEMBL19228048 | 0.90 | — | — | |
| SCHEMBL22667381 | 0.87 | MTNR1A (0.41) | — | |
| SCHEMBL23837376 | 0.86 | SMYD3 (0.34) | — | |
| SCHEMBL19228027 | 0.86 | AAK1 (0.34) | — | |
| SCHEMBL17337125 | 0.84 | PARP1 (0.32) | — | |
| SCHEMBL17337128 | 0.84 | PARP1 (0.32) | — | |
| SCHEMBL19663642 | 0.84 | MAPT (0.34) | — | |
| SCHEMBL19663651 | 0.84 | MTNR1A (0.32) | — | |
| SCHEMBL19228024 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11008346-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2021-05-18 | — | — | US | disclosed |
| EP-3154989-B1 | BETA-LACTAMASE INHIBITORS | VENATORX PHARMACEUTICALS INC (US) | 2021-03-24 | — | — | EP | disclosed |
| US-20200361962-A1 | BETA-LACTAMASE INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2020-11-19 | — | — | US | disclosed |
| US-9637504-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2017-05-02 | — | — | US | disclosed |