⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19933939 | 0.88 | USP2 (0.40) | — | |
| SCHEMBL19933816 | 0.87 | — | — | |
| SCHEMBL19933967 | 0.87 | MAPK11 (0.38) | — | |
| SCHEMBL19927522 | 0.84 | — | — | |
| SCHEMBL19933746 | 0.83 | TP53 (0.44) | — | |
| SCHEMBL19933944 | 0.82 | HSP90AA1 (0.41) | — | |
| SCHEMBL19933952 | 0.81 | MAPK14 (0.58) | — | |
| SCHEMBL19933823 | 0.81 | KDM4E (0.43) | — | |
| SCHEMBL19933882 | 0.80 | MAPK14 (0.44) | — | |
| SCHEMBL19933977 | 0.80 | MAPK14 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10793544-B2 | Disubstituted and trisubstituted 1,2,3-triazoles as Wnt inhibitors | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2020-10-06 | — | — | US | disclosed |
| US-20190202804-A1 | DISUBSTITUTED AND TRISUBSTITUTED 1,2,3-TRIAZOLES AS WNT INHIBITORS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2019-07-04 | — | — | US | disclosed |
| WO-2018045182-A1 | DISUBSTITUTED AND TRISUBTITUTED 1,2,3-TRIAZOLES AS WNT INHIBITORS | THE BOARD OF REGENTS OF HTE UNIVERSITY OF TEXAS SYSTEM (US) | 2018-03-08 | — | — | WO | disclosed |