⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14218910 | 0.81 | — | — | |
| SCHEMBL6559468 | 0.73 | — | — | |
| SCHEMBL17350103 | 0.73 | — | — | |
| SCHEMBL31019727 | 0.72 | — | — | |
| SCHEMBL14471201 | 0.69 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL6209770 | 0.68 | — | — | |
| SCHEMBL4361618 | 0.67 | — | — | |
| SCHEMBL22339498 | 0.67 | — | — | |
| SCHEMBL24758270 | 0.67 | PROKR1 (0.33) | — | |
| SCHEMBL871624 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4100124-A1 | HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS | Janssen Biotech, Inc. (US) | 2022-12-14 | — | — | EP | disclosed |
| CN-115427109-A | Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors | 詹森生物科技公司 | 2022-12-02 | — | — | CN | disclosed |
| WO-2021156787-A1 | HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS | JANSSEN BIOTECH, INC. (US) | 2021-08-12 | — | — | WO | disclosed |
| CN-103951663-B | Containing replacing the pyrazole amide of 1,3,4-thiadiazoles thioether and pyrazole imine analog derivative and preparation method and application | 贵州大学 | 2016-08-17 | — | — | CN | disclosed |