⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21079026 | 0.82 | — | — | |
| SCHEMBL19217259 | 0.79 | — | — | |
| SCHEMBL27114647 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL19400791 | 0.76 | — | — | |
| SCHEMBL26351518 | 0.76 | — | — | |
| SCHEMBL24199429 | 0.74 | — | — | |
| SCHEMBL18627202 | 0.74 | — | — | |
| SCHEMBL24106019 | 0.70 | CA2 (0.33) | — | |
| SCHEMBL14571153 | 0.70 | — | — | |
| SCHEMBL12447511 | 0.70 | — | — |
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-20230055250-A1 | MAP4K4 INHIBITORS | IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) | 2023-02-23 | — | — | US | disclosed |
| US-11247973-B2 | Antiviral benzodiazepine compounds | THE UNIVERSITY OF DURHAM (GB) | 2022-02-15 | — | — | US | disclosed |
| US-9951053-B2 | γ-diketones as Wnt/β-catenin signaling pathway activators | SAMUMED, LLC (US) | 2018-04-24 | — | — | US | disclosed |
| US-20170260176-A1 | GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS | MED-PATHWAYS II LIMITED (VG) | 2017-09-14 | — | — | US | disclosed |