⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12761295 | 0.86 | ABCB1 (0.36) | — | |
| SCHEMBL23148101 | 0.68 | USP2 (0.30) | — | |
| SCHEMBL28183722 | 0.68 | DRD2 (0.33) | — | |
| SCHEMBL5533440 | 0.61 | — | — | |
| SCHEMBL23147927 | 0.58 | KCNH2 (0.31) | — | |
| SCHEMBL23148142 | 0.58 | — | — | |
| SCHEMBL28414810 | 0.58 | ABCB1 (0.35) | — | |
| SCHEMBL27609519 | 0.57 | — | — | |
| SCHEMBL26457690 | 0.56 | OPRM1 (0.39) | — | |
| SCHEMBL26268476 | 0.55 | ACHE (0.36) | — |
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 2 patents. 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 | claimed |
| 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 |