⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14629324 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL14629323 | 0.62 | — | — | |
| SCHEMBL24210657 | 0.58 | ASIC3 (0.37) | — | |
| SCHEMBL30577626 | 0.57 | PSMB8 (0.39) | — | |
| SCHEMBL2010899 | 0.57 | CYP2A6 (0.40) | — | |
| SCHEMBL30577612 | 0.55 | NQO1 (0.34) | — | |
| SCHEMBL2259743 | 0.54 | HTT (0.37) | — | |
| SCHEMBL14629317 | 0.54 | KDM4E (0.33) | — | |
| SCHEMBL190068 | 0.54 | — | — | |
| SCHEMBL29397729 | 0.54 | — | — |
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 |