⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14997122 | 0.77 | — | — | |
| SCHEMBL10073744 | 0.77 | — | — | |
| SCHEMBL19266545 | 0.76 | — | — | |
| SCHEMBL17622988 | 0.72 | — | — | |
| SCHEMBL17623267 | 0.70 | — | — | |
| SCHEMBL22753800 | 0.70 | — | — | |
| SCHEMBL22063498 | 0.69 | — | — | |
| SCHEMBL12860075 | 0.68 | — | — | |
| SCHEMBL15830549 | 0.68 | — | — | |
| SCHEMBL14972409 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1934238-B1 | TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | MELINTA THERAPEUTICS INC (US) | 2017-06-28 | — | — | EP | disclosed |
| EP-2634174-B1 | Nitrogen-containing heterocyclic derivate having 2-imino group and pest control agent including the same | MEIJI SEIKA PHARMA CO LTD (JP) | 2017-05-17 | — | — | EP | disclosed |
| WO-2010014611-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-02-04 | — | — | WO | disclosed |