⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20003249 | 0.76 | — | — | |
| SCHEMBL7098457 | 0.74 | NQO1 (0.37) | — | |
| SCHEMBL8178745 | 0.74 | NQO1 (0.37) | — | |
| SCHEMBL22355092 | 0.70 | — | — | |
| SCHEMBL20105188 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL20375778 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL16812912 | 0.68 | — | — | |
| SCHEMBL25908323 | 0.68 | — | — | |
| SCHEMBL6831665 | 0.67 | — | — | |
| SCHEMBL11612417 | 0.67 | POLB (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2457957-B1 | Azo dyes for paper dyeing | KEMIRA OYJ (FI) | 2017-08-09 | — | — | EP | disclosed |