⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19122370 | 0.70 | — | — | |
| SCHEMBL19121987 | 0.70 | — | — | |
| SCHEMBL19122124 | 0.70 | — | — | |
| SCHEMBL8650182 | 0.69 | — | — | |
| SCHEMBL7263417 | 0.67 | — | — | |
| SCHEMBL19940188 | 0.66 | — | — | |
| SCHEMBL10039929 | 0.65 | — | — | |
| SCHEMBL16138438 | 0.64 | — | — | |
| SCHEMBL14559790 | 0.63 | — | — | |
| SCHEMBL22264938 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2414328-B1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO SA (CH) | 2021-05-26 | — | — | EP | disclosed |
| WO-2017134513-A1 | NOVEL BIAROMATIC PROPYNYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2017-08-10 | — | — | WO | disclosed |