⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18241840 | 0.95 | — | — | |
| SCHEMBL18378363 | 0.89 | AR (0.31) | — | |
| SCHEMBL18378079 | 0.88 | AR (0.30) | — | |
| SCHEMBL18243299 | 0.84 | AR (0.30) | — | |
| SCHEMBL18378103 | 0.80 | AR (0.34) | — | |
| SCHEMBL18243046 | 0.80 | — | — | |
| SCHEMBL18378246 | 0.80 | NFKB1 (0.30) | — | |
| SCHEMBL18242681 | 0.78 | CES2 (0.40) | — | |
| SCHEMBL18242019 | 0.76 | NR1H2 (0.32) | — | |
| SCHEMBL18378334 | 0.76 | AR (0.32) | — |
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 |