⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL534925 | 0.69 | LMNA (0.48) | — | |
| SCHEMBL2051823 | 0.68 | MAPK10 (0.44) | — | |
| SCHEMBL30448785 | 0.67 | CCNC (0.35) | — | |
| SCHEMBL9339299 | 0.63 | — | — | |
| SCHEMBL525475 | 0.62 | EGFR (0.36) | — | |
| SCHEMBL29001823 | 0.58 | CYP11B2 (0.30) | — | |
| SCHEMBL29568879 | 0.57 | IMPDH2 (0.50) | — | |
| SCHEMBL1419181 | 0.57 | IMPDH2 (0.50) | — | |
| SCHEMBL3671831 | 0.54 | — | — | |
| SCHEMBL672509 | 0.54 | CLK1 (0.54) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114790212-B | Oxazinoisoindole and oxazinoisoquinoline compounds and preparation method thereof | 复旦大学 | 2024-04-30 | — | — | CN | claimed |
| CN-114790212-A | Oxazinoindole and oxazinoisoquinoline compounds and process for preparing same | 复旦大学 | 2022-07-26 | — | — | CN | claimed |
| CN-114790212-B | Oxazinoisoindole and oxazinoisoquinoline compounds and preparation method thereof | 复旦大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-114790212-B | Oxazinoisoindole and oxazinoisoquinoline compounds and preparation method thereof | 复旦大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-114790212-B | Oxazinoisoindole and oxazinoisoquinoline compounds and preparation method thereof | 复旦大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-114790212-A | Oxazinoindole and oxazinoisoquinoline compounds and process for preparing same | 复旦大学 | 2022-07-26 | — | — | CN | disclosed |
| CN-114790212-A | Oxazinoindole and oxazinoisoquinoline compounds and process for preparing same | 复旦大学 | 2022-07-26 | — | — | CN | disclosed |