⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5827902 | 0.76 | SLC6A3 (0.34) | — | |
| SCHEMBL5827757 | 0.76 | SLC6A3 (0.34) | — | |
| SCHEMBL15730429 | 0.73 | USP2 (0.32) | — | |
| SCHEMBL15730444 | 0.70 | — | — | |
| SCHEMBL1152882 | 0.70 | — | — | |
| SCHEMBL7108938 | 0.70 | — | — | |
| SCHEMBL1664283 | 0.70 | — | — | |
| SCHEMBL7673839 | 0.70 | — | — | |
| SCHEMBL6519091 | 0.69 | — | — | |
| SCHEMBL1643331 | 0.68 | USP2 (0.42) | — |
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-2002079753-A2 | 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-10-10 | — | — | WO | disclosed |