⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5929425 | 0.74 | — | — | |
| SCHEMBL722863 | 0.74 | — | — | |
| SCHEMBL3383946 | 0.64 | — | — | |
| SCHEMBL15358882 | 0.59 | ALDH1A1 (0.68) | — | |
| SCHEMBL15926696 | 0.59 | — | — | |
| Nitric Acid SCHEMBL2720942 | 0.57 | CA5A (0.47) | — | |
| SCHEMBL14464105 | 0.57 | — | — | |
| SCHEMBL385132 | 0.54 | — | — | |
| SCHEMBL5177022 | 0.52 | — | — | |
| SCHEMBL2981077 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0431002-B1 | A DISINFECTING OR BLEACHING TISSUE | PAL INT LTD (GB) | 1994-03-02 | — | — | EP | claimed |
| US-4728498-A | Process for disinfecting article with device dispensing chlorine donor and chlorine acceptor | ALZA CORPORATION (US) | 1988-03-01 | — | — | US | disclosed |
| US-4418038-A | Disinfecting with chlorine-containing biocide dispensed from shaped polymeric body | ALZA CORPORATION (US) | 1983-11-29 | — | — | US | disclosed |