⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10000753 | 0.64 | PIM1 (0.32) | — | |
| SCHEMBL12744505 | 0.63 | ERBB2 (0.40) | — | |
| SCHEMBL20663434 | 0.58 | — | — | |
| SCHEMBL14067035 | 0.57 | ERBB2 (0.36) | — | |
| SCHEMBL16597206 | 0.57 | ERBB2 (0.39) | — | |
| SCHEMBL13025134 | 0.55 | KDM4E (0.37) | — | |
| SCHEMBL14369567 | 0.54 | SRC (0.39) | — | |
| SCHEMBL19654731 | 0.54 | — | — | |
| SCHEMBL8351615 | 0.53 | KDM4E (0.35) | — | |
| SCHEMBL31606947 | 0.53 | IGF1R (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-2257523-B1 | PREPARATION OF HYDROQUINONE AMIDE COMPOUNDS WITH ANTIOXIDANT PROPERTIES | CATALYS SAS (FR) | 2011-08-10 | — | — | EP | disclosed |