⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8595456 | 0.79 | — | — | |
| SCHEMBL4913736 | 0.78 | — | — | |
| SCHEMBL34935 | 0.76 | — | — | |
| SCHEMBL792423 | 0.71 | — | — | |
| SCHEMBL7930805 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL6237757 | 0.71 | — | — | |
| SCHEMBL3640050 | 0.70 | — | — | |
| SCHEMBL11413136 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL9640 | 0.69 | — | — | |
| SCHEMBL21765845 | 0.69 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014068171-A1 | N-SUBSTITUTED 4-AMINOPHENOLS AND CORRESPONDING QUINONE IMINES | MEDEIA THERAPEUTICS LTD (FI) | 2014-05-08 | — | — | WO | disclosed |