⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22944875 | 0.77 | — | — | |
| SCHEMBL13034822 | 0.68 | ALOX5AP (0.33) | — | |
| SCHEMBL13034810 | 0.68 | ALOX5AP (0.33) | — | |
| SCHEMBL22944878 | 0.66 | — | — | |
| SCHEMBL14953127 | 0.61 | HSD11B1 (0.37) | — | |
| SCHEMBL3687706 | 0.60 | ALOX5AP (0.35) | — | |
| SCHEMBL25641306 | 0.59 | ALOX5AP (0.32) | — | |
| SCHEMBL29518546 | 0.59 | HSD11B1 (0.33) | — | |
| SCHEMBL152170 | 0.59 | ALOX5AP (0.37) | — | |
| SCHEMBL7120900 | 0.59 | ALOX5AP (0.32) | — |
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-2021021979-A2 | HDAC6 INHIBITORS AND USES THEREOF | EIKONIZO THERAPAPEUTICS, INC. (US) | 2021-02-04 | — | — | WO | disclosed |