⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19663798 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL17347822 | 0.86 | — | — | |
| SCHEMBL23129713 | 0.86 | — | — | |
| SCHEMBL23129894 | 0.86 | — | — | |
| SCHEMBL17347802 | 0.86 | — | — | |
| SCHEMBL17347816 | 0.82 | PRKCB (0.33) | — | |
| SCHEMBL23129714 | 0.82 | PRKCB (0.33) | — | |
| SCHEMBL23130039 | 0.81 | PARP1 (0.32) | — | |
| SCHEMBL17347844 | 0.81 | PRKCB (0.31) | — | |
| SCHEMBL17347799 | 0.81 | PARP1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |