⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13539394 | 0.97 | — | — | |
| SCHEMBL5965068 | 0.78 | MGLL (0.92) | — | |
| SCHEMBL21550291 | 0.75 | MGLL (0.33) | — | |
| SCHEMBL5328404 | 0.74 | MGLL (1.00) | — | |
| SCHEMBL6395909 | 0.72 | — | — | |
| SCHEMBL20281589 | 0.69 | MGLL (0.53) | — | |
| SCHEMBL22958638 | 0.69 | — | — | |
| SCHEMBL23190421 | 0.69 | MGLL (0.53) | — | |
| SCHEMBL11538068 | 0.69 | MGLL (0.73) | — | |
| SCHEMBL19977094 | 0.67 | — | — |
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-20220024891-A1 | THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2022-01-27 | — | — | US | disclosed |
| EP-3798214-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2021-03-31 | — | — | EP | disclosed |