⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18378162 | 0.94 | — | — | |
| SCHEMBL18242731 | 0.86 | PGK1 (0.31) | — | |
| SCHEMBL18242289 | 0.83 | PTPN2 (0.34) | — | |
| SCHEMBL28256782 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL18378245 | 0.80 | PTPN2 (0.40) | — | |
| SCHEMBL18241949 | 0.79 | PTPN2 (0.42) | — | |
| SCHEMBL18242418 | 0.78 | — | — | |
| SCHEMBL18378128 | 0.78 | PTPN2 (0.33) | — | |
| SCHEMBL18243855 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL18242307 | 0.76 | ACP3 (0.38) | — |
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-10451967-B2 | Acid- and radical-generating agent and method for generating acid and radical | FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) | 2019-10-22 | — | — | US | disclosed |
| US-20160342084-A1 | ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL | FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) | 2016-11-24 | — | — | US | disclosed |