⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19252676 | 0.85 | — | — | |
| SCHEMBL19251436 | 0.69 | — | — | |
| SCHEMBL24548326 | 0.68 | — | — | |
| SCHEMBL26804945 | 0.66 | — | — | |
| SCHEMBL11174855 | 0.59 | — | — | |
| SCHEMBL21400457 | 0.58 | — | — | |
| SCHEMBL21400668 | 0.57 | — | — | |
| SCHEMBL24697309 | 0.57 | — | — | |
| SCHEMBL19336201 | 0.57 | — | — | |
| SCHEMBL18951909 | 0.56 | — | — |
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-2017133655-A1 | BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE | 浙江大学 | 2017-08-10 | — | — | WO | disclosed |