⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL124179 | 0.76 | — | — | |
| SCHEMBL27265453 | 0.76 | EPHX1 (0.42) | — | |
| SCHEMBL6363154 | 0.76 | — | — | |
| Lithium SCHEMBL669188 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL30777463 | 0.73 | — | — | |
| SCHEMBL11123806 | 0.73 | EPHX1 (0.40) | — | |
| SCHEMBL8894589 | 0.73 | — | — | |
| SCHEMBL8894866 | 0.73 | — | — | |
| SCHEMBL9913287 | 0.73 | EPHX1 (0.40) | — | |
| SCHEMBL14926868 | 0.71 | EPHX1 (0.39) | — |
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 |