⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2000051 | 0.58 | LRRK2 (0.41) | — | |
| SCHEMBL30236551 | 0.57 | CYP11B1 (0.37) | — | |
| SCHEMBL30736254 | 0.54 | CYP19A1 (0.40) | — | |
| SCHEMBL14629309 | 0.52 | CHEK1 (0.39) | — | |
| SCHEMBL18731945 | 0.51 | MAPT (0.50) | — | |
| SCHEMBL151617 | 0.50 | — | — | |
| SCHEMBL29773154 | 0.50 | — | — | |
| SCHEMBL22322807 | 0.49 | CLK4 (0.44) | — | |
| SCHEMBL19878276 | 0.49 | KDM4E (0.33) | — | |
| Hydrochloric Acid SCHEMBL30837147 | 0.49 | — | — |
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-1739081-A1 | HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-01-03 | — | — | EP | disclosed |