⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL291310 | 0.72 | — | — | |
| SCHEMBL379841 | 0.71 | — | — | |
| SCHEMBL7042323 | 0.71 | — | — | |
| SCHEMBL10154407 | 0.70 | TP53 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL27970528 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL28812796 | 0.70 | — | — | |
| SCHEMBL812166 | 0.69 | TP53 (0.57) | — | |
| SCHEMBL13310465 | 0.69 | TP53 (0.57) | — | |
| SCHEMBL812149 | 0.69 | TP53 (0.57) | — | |
| SCHEMBL715386 | 0.69 | TP53 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020102245-A1 | IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2020-05-22 | — | — | WO | disclosed |
| WO-2020102243-A2 | IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2020-05-22 | — | — | WO | disclosed |