⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29135700 | 0.72 | — | — | |
| SCHEMBL10812368 | 0.72 | — | — | |
| SCHEMBL19588707 | 0.68 | — | — | |
| SCHEMBL4369615 | 0.68 | — | — | |
| SCHEMBL4264516 | 0.65 | — | — | |
| SCHEMBL29015963 | 0.65 | — | — | |
| SCHEMBL30220446 | 0.65 | — | — | |
| SCHEMBL1484132 | 0.65 | — | — | |
| SCHEMBL4365578 | 0.64 | — | — | |
| SCHEMBL4363127 | 0.64 | TRPA1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1042538-A | Opticity benzoxazine and benzothiazine and Stereoselective preparation method thereof | GIST BROCADES NV (NL) | 1990-05-30 | — | — | CN | disclosed |