⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21091000 | 0.84 | UHRF1 (0.32) | — | |
| SCHEMBL23030905 | 0.82 | — | — | |
| SCHEMBL2625482 | 0.74 | NOS3 (0.35) | — | |
| SCHEMBL21711086 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL21711177 | 0.73 | NOS3 (0.38) | — | |
| SCHEMBL18672385 | 0.72 | UHRF1 (0.42) | — | |
| SCHEMBL11981613 | 0.71 | UHRF1 (0.32) | — | |
| SCHEMBL15806351 | 0.71 | UHRF1 (0.32) | — | |
| SCHEMBL25098459 | 0.71 | UHRF1 (0.32) | — | |
| SCHEMBL15806350 | 0.71 | APLNR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023102209-A1 | CLAUDIN INHIBITORS AND METHODS OF USE THEREOF | THE UNIVERSITY OF CHICAGO (US) | 2023-06-08 | — | — | WO | disclosed |