⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14629319 | 0.60 | SLC22A12 (0.30) | — | |
| SCHEMBL24169930 | 0.55 | — | — | |
| SCHEMBL12062212 | 0.53 | USP8 (0.31) | — | |
| SCHEMBL16195988 | 0.52 | NNMT (0.36) | — | |
| SCHEMBL20571884 | 0.52 | GRIA1 (0.37) | — | |
| SCHEMBL18774732 | 0.51 | — | — | |
| SCHEMBL21899458 | 0.50 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL30667978 | 0.50 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL26684739 | 0.50 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL8646185 | 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 |