⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL409307 | 0.72 | — | — | |
| SCHEMBL13990705 | 0.72 | — | — | |
| SCHEMBL2666672 | 0.69 | — | — | |
| SCHEMBL20053794 | 0.69 | — | — | |
| SCHEMBL24729703 | 0.69 | — | — | |
| SCHEMBL24953798 | 0.69 | — | — | |
| SCHEMBL23034513 | 0.69 | P2RX3 (0.36) | — | |
| SCHEMBL25403717 | 0.68 | — | — | |
| SCHEMBL20844092 | 0.68 | — | — | |
| SCHEMBL10177914 | 0.68 | — | — |
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-3596074-B1 | HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS | FONDAZIONE ST ITALIANO TECNOLOGIA (IT) | 2022-12-14 | — | — | EP | disclosed |
| WO-2020212897-A1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | JANSSEN BIOTECH, INC. (US) | 2020-10-22 | — | — | WO | disclosed |
| WO-2017117239-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS | FLATLEY DISCOVERY LAB, LLC (US) | 2017-07-06 | — | — | WO | disclosed |