⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22089735 | 1.00 | — | — | |
| SCHEMBL22092812 | 1.00 | — | — | |
| SCHEMBL28296656 | 0.85 | — | — | |
| SCHEMBL28631775 | 0.74 | SLC1A2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL22092794 | 0.69 | ALDH1A1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL22089734 | 0.69 | ALDH1A1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL22092810 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL5142865 | 0.68 | SLC6A3 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL26606130 | 0.66 | SLC1A2 (0.35) | — | |
| SCHEMBL23415593 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210363152-A1 | AMINOAZINE AMIDES | HOFFMANN LA ROCHE (US) | 2021-11-25 | — | — | US | disclosed |
| EP-3873473-A1 | AMINOAZINE AMIDES | F. Hoffmann-La Roche AG (CH) | 2021-09-08 | — | — | EP | disclosed |
| WO-2020123426-A1 | AMINOAZINE AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2020-06-18 | — | — | WO | disclosed |
| US-20160250246-A1 | ORAL FORMULATIONS OF CYTIDINE ANALOGS AND METHODS OF USE THEREOF | CELGENE CORP (US) | 2016-09-01 | — | — | US | disclosed |