⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12126139 | 0.74 | — | — | |
| SCHEMBL5501687 | 0.70 | GAA (0.39) | — | |
| SCHEMBL10708896 | 0.69 | — | — | |
| SCHEMBL13677236 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL18506408 | 0.69 | — | — | |
| SCHEMBL22309015 | 0.67 | — | — | |
| SCHEMBL1765140 | 0.67 | SLC22A1 (0.31) | — | |
| SCHEMBL19791107 | 0.67 | CARM1 (0.31) | — | |
| SCHEMBL13148260 | 0.65 | TSHR (0.41) | — | |
| Hydrochloric Acid SCHEMBL1793669 | 0.65 | LMNA (0.33) | — |
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-2704568-B1 | DIAZENIUMDIOLATE CYCLOHEXYL DERIVATIVES | MERCK SHARP & DOHME (US) | 2018-01-24 | — | — | EP | disclosed |