⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14946733 | 0.75 | — | — | |
| SCHEMBL23170009 | 0.75 | — | — | |
| SCHEMBL24070452 | 0.75 | — | — | |
| SCHEMBL28453808 | 0.69 | — | — | |
| SCHEMBL284306 | 0.69 | — | — | |
| SCHEMBL805509 | 0.69 | — | — | |
| SCHEMBL384942 | 0.69 | — | — | |
| SCHEMBL23170008 | 0.67 | PIK3CD (0.31) | — | |
| SCHEMBL28179008 | 0.61 | — | — | |
| SCHEMBL11004103 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021062316-A1 | AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS | THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) | 2021-04-01 | — | — | WO | disclosed |