⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23837445 | 0.77 | AAK1 (0.31) | — | |
| SCHEMBL23837480 | 0.72 | KMT2A (0.34) | — | |
| SCHEMBL23837439 | 0.71 | MTNR1A (0.33) | — | |
| SCHEMBL23837498 | 0.71 | MTNR1A (0.36) | — | |
| SCHEMBL23130304 | 0.71 | MTNR1A (0.34) | — | |
| SCHEMBL23130217 | 0.71 | MTNR1A (0.31) | — | |
| SCHEMBL23837515 | 0.71 | MTNR1A (0.37) | — | |
| SCHEMBL17337149 | 0.69 | PRKCB (0.33) | — | |
| SCHEMBL17337150 | 0.68 | PRKCB (0.33) | — | |
| SCHEMBL23837590 | 0.68 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3882252-A1 | BETA-LACTAMASE INHIBITORS | Venatorx Pharmaceuticals, Inc. (US) | 2021-09-22 | — | — | EP | disclosed |