⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17755715 | 0.78 | — | — | |
| SCHEMBL7129605 | 0.77 | — | — | |
| SCHEMBL29212132 | 0.76 | — | — | |
| SCHEMBL27598609 | 0.76 | — | — | |
| SCHEMBL9722432 | 0.71 | — | — | |
| SCHEMBL7107867 | 0.71 | TSHR (0.30) | — | |
| Bicarbonate SCHEMBL10888565 | 0.70 | RNPEP (0.39) | — | |
| SCHEMBL11678718 | 0.69 | — | — | |
| SCHEMBL1351962 | 0.69 | — | — | |
| Bicarbonate SCHEMBL10890995 | 0.67 | RNPEP (0.37) | — |
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-1104401-B1 | PEROXIDES, THEIR PREPARATION PROCESS AND USE | AKZO NOBEL NV (NL) | 2002-12-04 | — | — | EP | disclosed |
| EP-1104401-A1 | PEROXIDES, THEIR PREPARATION PROCESS AND USE | Akzo Nobel N.V. (NL) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009478-A1 | PEROXIDES, THEIR PREPARATION PROCESS AND USE | AKZO NOBEL N.V. (NL) | 2000-02-24 | — | — | WO | disclosed |