⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1425056 | 1.00 | — | — | |
| SCHEMBL28713899 | 0.81 | — | — | |
| SCHEMBL18096142 | 0.79 | — | — | |
| Gimeracil SCHEMBL124438 | 0.79 | — | — | |
| Gimeracil SCHEMBL30536932 | 0.77 | HSD17B10 (0.42) | — | |
| Gimeracil SCHEMBL29073371 | 0.77 | HSD17B10 (0.42) | — | |
| SCHEMBL17703502 | 0.75 | — | — | |
| SCHEMBL10200436 | 0.75 | — | — | |
| SCHEMBL16033479 | 0.75 | — | — | |
| SCHEMBL16334514 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117377665-A | PARP7 inhibitor and application thereof | 北京华森英诺生物科技有限公司 | 2024-01-09 | — | — | CN | disclosed |
| 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 |