⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23148114 | 0.94 | — | — | |
| SCHEMBL23147927 | 0.62 | KCNH2 (0.31) | — | |
| SCHEMBL23148165 | 0.58 | — | — | |
| SCHEMBL23148110 | 0.57 | — | — | |
| SCHEMBL23148101 | 0.56 | USP2 (0.30) | — | |
| SCHEMBL23147881 | 0.56 | — | — | |
| SCHEMBL19428176 | 0.50 | — | — | |
| SCHEMBL820464 | 0.49 | — | — | |
| SCHEMBL14275883 | 0.48 | — | — | |
| SCHEMBL19428196 | 0.45 | KDM4E (0.30) | — |
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 |