⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL396876 | 0.71 | — | — | |
| SCHEMBL6351632 | 0.67 | — | — | |
| SCHEMBL1504094 | 0.63 | — | — | |
| SCHEMBL8924181 | 0.63 | — | — | |
| SCHEMBL12486990 | 0.60 | — | — | |
| SCHEMBL12487228 | 0.60 | — | — | |
| SCHEMBL18243389 | 0.60 | — | — | |
| SCHEMBL395137 | 0.60 | — | — | |
| SCHEMBL312887 | 0.58 | — | — | |
| SCHEMBL12486779 | 0.58 | — | — |
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-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 |
| EP-0558857-A1 | Method for the manufacture of P-bromodimethyl aniline | IMI (TAMI) INSTITUTE FOR RESEARCH & DEVELOPMENT LTD. (IL) | 1993-09-08 | — | — | EP | disclosed |