⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL164800 | 1.00 | — | — | |
| SCHEMBL21641518 | 1.00 | — | — | |
| SCHEMBL6848938 | 1.00 | — | — | |
| SCHEMBL161194 | 1.00 | — | — | |
| SCHEMBL574756 | 1.00 | — | — | |
| SCHEMBL9271747 | 1.00 | — | — | |
| SCHEMBL594190 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31757671 | 0.97 | CYP1A2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL31757860 | 0.97 | CYP1A2 (0.39) | — | |
| SCHEMBL723877 | 0.80 | CYP2D6 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604505-A1 | NOVEL MONOOXYGENASE AND UTILIZATION THEREOF | Kaneka Corporation (JP) | 2020-02-05 | — | — | EP | disclosed |
| US-20180044305-A1 | 3-SUBSTITUTED 1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2018-02-15 | — | — | US | disclosed |
| US-20180044305-A1 | 3-SUBSTITUTED 1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2018-02-15 | — | — | US | disclosed |
| CN-101217970-A | Compositions, methods and uses for a novel family of peptides | TEXAS A & M UNIV SYS (US) | 2008-07-09 | — | — | CN | disclosed |